Beclamide

A summary of the most common chemical descriptors (InChI Key and SMILES codes) for Beclamide are summarized together with 3D and 2D structures and relevant physico-chemical properties.

What is the Beclamide?

The molecule Beclamide presents a molecular formula of C10H12ClNO and its IUPAC name is N-benzyl-3-chloropropanamide.

Beclamide is a molecule that belongs to the class of drugs known as anticonvulsants. It is used to treat seizures and convulsions. The exact mechanism of action of beclamide is not known, but it is thought to work by inhibiting the action of certain chemicals in the brain that are involved in seizure activity. Beclamide exists in tablet and injectable form..

3D structure

Cartesian coordinates

Geometry of Beclamide in x, y and z coordinates (Å units) to copy/paste elsewhere. Generated with Open Babel software.

2D drawing

 

Beclamide JPYQFYIEOUVJDU-UHFFFAOYSA-N chemical compound 2D structure molecule svg
Beclamide

 

Molecule descriptors

 
IUPAC nameN-benzyl-3-chloropropanamide
InChI codeInChI=1S/C10H12ClNO/c11-7-6-10(13)12-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13)
InChI KeyJPYQFYIEOUVJDU-UHFFFAOYSA-N
SMILESO=C(CCCl)NCc1ccccc1

Other names (synonyms)

IUPAC nomenclature provides a standardized method for naming chemical compounds. Although this system is widely used in chemistry, many chemical compounds have also other names commonly used in different contexts. These synonyms can come from a variety of sources and are used for a variety of purposes.

One common source of synonyms for chemical compounds is the common or trivial names, assigned on the basis of appearance, properties, or origin of the molecule.

Another source of synonyms are historical or obsolete names employed in the past, however replaced nowadays by more modern or standardized names.

In addition to common and historical names, chemical compounds may also have synonyms that are specific to a particular field or industry.

  • 3-Chloro-N-(phenylmethyl)propanamide
  • 501-68-8
  • A914183
  • AB01563371_01
  • AS-36373
  • BCP29693
  • BRN 2720702
  • Beclamid
  • Beclamida
  • Beclamide
  • Beclamide (INN)
  • Beclamide 1.0 mg/ml in Acetonitrile
  • Beclamidum
  • Beklamid
  • Benxchlorpropamide
  • Benzchlorpropamid
  • Benzchlorpropamide
  • Benzochlorpropamid
  • Benzylamide
  • CCG-213990
  • CS-4794
  • Chloracon
  • Chlorakon
  • Chloroethylphenamide
  • Chloropropionamide
  • D07300
  • DB09011
  • DSSTox_CID_31544
  • DSSTox_GSID_57755
  • DSSTox_RID_97429
  • F5N0ALI65V
  • FT-0662480
  • HY-B1185
  • Hibicon
  • Khlorakon
  • MFCD00018975
  • N-(3-Chloropropionyl)benzylamine
  • N-Benzyl-.beta.-chloropropanamide
  • N-Benzyl-.beta.-chloropropionamide
  • N-Benzyl-3-chloro-propionamide
  • N-Benzyl-3-chloropropanamide
  • N-Benzyl-3-chloropropanamide #
  • N-Benzyl-3-chloropropionamide
  • N-Benzyl-beta-chloropropanamide
  • N-Benzyl-beta-chloropropionamide
  • NCGC00262914-01
  • NCIOpen2_000074
  • NSC 67062
  • NSC-67062
  • NSC-759264
  • NSC67062
  • NSC759264
  • Neuracen
  • Nidrane
  • Nydran
  • Nydrane
  • PROPIONAMIDE, N-BENZYL-3-CHLORO-
  • Pharmakon1600-01505827
  • Posedran
  • Posedrin
  • Posedrine
  • Propanamide, 3-chloro-N-(phenylmethyl)-
  • Q3637399
  • SR-01000944273
  • SR-01000944273-1
  • STK296069
  • Seclar
  • WLN: G2VM1R
  • s5888

Reference codes for other databases

There exist several different chemical codes commonly used in orded to identify molecules:
  • ZINC1694184
  • CAS-501-68-8
  • UNII-F5N0ALI65V
  • AKOS000152188
  • BRD-K44824027-001-01-3
  • DTXSID5057755
  • CHEMBL64195
  • CHEBI:134859
  • Tox21_113912
  • EINECS 207-927-1
  • SCHEMBL35199
  • SCHEMBL21541521

Physico-Chemical properties

IUPAC nameN-benzyl-3-chloropropanamide
Molecular formulaC10H12ClNO
Molecular weight197.661
Melting point (ºC)
Boiling point (ºC)
Density (g/cm3)
Molar refractivity53.63
LogP2.3
Topological polar surface area29.1

LogP and topological polar surface area (TPSA) values were estimated using Open Babel software.

The n-octanol/water partition coeficient (Kow) data is applied in toxicology and drug research. Kow values are used, to guess the environmental fate of persistent organic pollutants. High partition coefficients values, tend to accumulate in the fatty tissue of organisms. Molecules with a log(Kow) (or LogP) greater than 5 are considered to bioaccumulate.

TPSA values are the sum of the surface area over all polar atoms or molecules, mainly oxygen and nitrogen, also including hydrogen atoms.

In medicinal chemistry, TPSA is used to assess the ability of a drug to permeabilise cells.

For molecules to penetrate the blood-brain barrier (and act on receptors in the central nervous system), TPSA values below 90 Å2 are required. Thus, molecules with a polar surface area greater than 140 Å2 tend to be poorly permeable to cell membranes.