2-chloro-N-[(4-acetamidophenyl)methyl]acetamide

• ChemBase ID: 311901
• Molecular Formular: C11H13ClN2O2
• Molecular Mass: 240.68612
• Monoisotopic Mass: 240.06655535
• SMILES: C(=O)(Nc1ccc(CNC(=O)CCl)cc1)C
• Canonical SMILES: ClCC(=O)NCc1ccc(cc1)NC(=O)C
• InChI: InChI=1S/C11H13ClN2O2/c1-8(15)14-10-4-2-9(3-5-10)7-13-11(16)6-12/h2-5H,6-7H2,1H3,(H,13,16)(H,14,15)
• InChIKey: LKTHYGFQEGMNRP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-[(4-acetamidophenyl)methyl]acetamide
• IUPAC Traditional name: 2-chloro-N-[(4-acetamidophenyl)methyl]acetamide
• Synonyms: N-[4-(acetylamino)benzyl]-2-chloroacetamide

Database IDs

• CAS Number: 102677-62-3
• MDL Number: MFCD00631544

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.692915
• LogD (pH = 7.4): 0.6929137
• Log P: 0.692915
• Molar Refractivity: 63.5914 cm^3
• Polarizability: 23.802156 Å^3
• Polar Surface Area: 58.2 Å^2