N-benzyl-3-chloropropanamide

• ChemBase ID: 130296
• Molecular Formular: C10H12ClNO
• Molecular Mass: 197.66138
• Monoisotopic Mass: 197.06074169
• SMILES: ClCCC(=O)NCc1ccccc1
• Canonical SMILES: ClCCC(=O)NCc1ccccc1
• InChI: InChI=1S/C10H12ClNO/c11-7-6-10(13)12-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13)
• InChIKey: JPYQFYIEOUVJDU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-3-chloropropanamide
• IUPAC Traditional name: N-benzyl-3-chloropropionamide
• Synonyms: 3-Chloro-N-(phenylmethyl-propanamide; Beklamid; Chloracon; Chlorakon; Chloroethylphenamide; Hibicon; N-(3-Chloropropionyl)benzylamine; N-Benzyl-3-chloropropionamide; N-Benzyl-β-chloropropanamide; N-Benzyl-β-chloropropionamide; NSC 67062; Neuracen; Nidrane; Nydran; Nydrane; Posedrine; Seclar; Beclamide

Database IDs

• CAS Number: 501-68-8
• PubChem SID: 162224575
• PubChem CID: 10391
• ATC CODE: N03AX30
• CHEMBL: 64195
• Chemspider ID: 9962
• KEGG ID: D07300
• Unique Ingredient Identifier: F5N0ALI65V
• Wikipedia Title: Beclamide

CALCULATED PROPERTIES

• Acid pKa: 14.127145
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.6922174
• LogD (pH = 7.4): 1.6922174
• Log P: 1.6922174
• Molar Refractivity: 53.4278 cm^3
• Polarizability: 20.719278 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Admin Routes: Oral

DETAILS

Toronto Research Chemicals - B119400

Beclamide is a chlorinated benzylpropanamide used as an anticonvulsant drug. It is used in the treatment of tonic-clonic seizyres and has sedative properties.

REFERENCES

• Morton, D.J.: Neuropharmacology, 23, 1125 (1984)
• Rydzynski, Z. et al.: Therapie, 32, 365 (1984)
• Luscombe, D.K. et al.: J. Pharm. Pharmacol., 27, 18P (1984)