N-(2-benzoylphenyl)-2-chloroacetamide

• ChemBase ID: 85437
• Molecular Formular: C15H12ClNO2
• Molecular Mass: 273.71428
• Monoisotopic Mass: 273.05565631
• SMILES: N(c1c(cccc1)C(=O)c1ccccc1)C(=O)CCl
• Canonical SMILES: ClCC(=O)Nc1ccccc1C(=O)c1ccccc1
• InChI: InChI=1S/C15H12ClNO2/c16-10-14(18)17-13-9-5-4-8-12(13)15(19)11-6-2-1-3-7-11/h1-9H,10H2,(H,17,18)
• InChIKey: HIMNRRQRDQNAEN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-benzoylphenyl)-2-chloroacetamide
• IUPAC Traditional name: N-(2-benzoylphenyl)-2-chloroacetamide
• Synonyms: N1-(2-benzoylphenyl)-2-chloroacetamide

Database IDs

• MDL Number: MFCD00127827
• PubChem SID: 162072553
• PubChem CID: 2064069

CALCULATED PROPERTIES

• Acid pKa: 12.223612
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.857653
• LogD (pH = 7.4): 3.857647
• Log P: 3.8576531
• Molar Refractivity: 76.2497 cm^3
• Polarizability: 28.675676 Å^3
• Polar Surface Area: 46.17 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true