N-(2-benzoylphenyl)acetamide

• ChemBase ID: 75035
• Molecular Formular: C15H13NO2
• Molecular Mass: 239.26922
• Monoisotopic Mass: 239.09462866
• SMILES: N(c1ccccc1C(=O)c1ccccc1)C(=O)C
• Canonical SMILES: CC(=O)Nc1ccccc1C(=O)c1ccccc1
• InChI: InChI=1S/C15H13NO2/c1-11(17)16-14-10-6-5-9-13(14)15(18)12-7-3-2-4-8-12/h2-10H,1H3,(H,16,17)
• InChIKey: MRXZRJQRQWTKIX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-benzoylphenyl)acetamide
• IUPAC Traditional name: N-(2-benzoylphenyl)acetamide
• Synonyms: N-(2-Benzoylphenyl)acetamide; 2-Benzoylacetanilide

Database IDs

• CAS Number: 85-99-4
• MDL Number: MFCD00442710
• PubChem SID: 162039953
• PubChem CID: 97474

CALCULATED PROPERTIES

• Acid pKa: 12.88682
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.3203092
• LogD (pH = 7.4): 3.320308
• Log P: 3.3203092
• Molar Refractivity: 71.4965 cm^3
• Polarizability: 26.860369 Å^3
• Polar Surface Area: 46.17 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true