N-(1H-1,3-benzodiazol-2-yl)-2-chloroacetamide

• ChemBase ID: 311164
• Molecular Formular: C9H8ClN3O
• Molecular Mass: 209.63232
• Monoisotopic Mass: 209.03558957
• SMILES: c1(nc2c([nH]1)cccc2)NC(=O)CCl
• Canonical SMILES: ClCC(=O)Nc1nc2c([nH]1)cccc2
• InChI: InChI=1S/C9H8ClN3O/c10-5-8(14)13-9-11-6-3-1-2-4-7(6)12-9/h1-4H,5H2,(H2,11,12,13,14)
• InChIKey: ZBCXNGGSMCVRHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1H-1,3-benzodiazol-2-yl)-2-chloroacetamide
• IUPAC Traditional name: N-(1H-1,3-benzodiazol-2-yl)-2-chloroacetamide
• Synonyms: N-1H-benzimidazol-2-yl-2-chloroacetamide

Database IDs

• CAS Number: 84587-80-4
• MDL Number: MFCD01341598

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.7183101
• LogD (pH = 7.4): 1.715954
• Log P: 1.7188082
• Molar Refractivity: 54.058 cm^3
• Polarizability: 21.354286 Å^3
• Polar Surface Area: 57.78 Å^2