N-(3-acetylphenyl)-2-phenylacetamide

• ChemBase ID: 27534
• Molecular Formular: C16H15NO2
• Molecular Mass: 253.2958
• Monoisotopic Mass: 253.11027873
• SMILES: C(=O)(Nc1cc(C(=O)C)ccc1)Cc1ccccc1
• Canonical SMILES: O=C(Cc1ccccc1)Nc1cccc(c1)C(=O)C
• InChI: InChI=1S/C16H15NO2/c1-12(18)14-8-5-9-15(11-14)17-16(19)10-13-6-3-2-4-7-13/h2-9,11H,10H2,1H3,(H,17,19)
• InChIKey: FOTVDRUNXUCUIZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-acetylphenyl)-2-phenylacetamide
• IUPAC Traditional name: N-(3-acetylphenyl)-2-phenylacetamide
• Synonyms: N-(3-Acetylphenyl)-2-phenylacetamide

Database IDs

• MDL Number: MFCD01359400
• PubChem SID: 160990841
• PubChem CID: 922311

CALCULATED PROPERTIES

• Acid pKa: 13.66543
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.6029434
• LogD (pH = 7.4): 2.6029432
• Log P: 2.6029434
• Molar Refractivity: 76.0457 cm^3
• Polarizability: 28.538754 Å^3
• Polar Surface Area: 46.17 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false