N-(3-acetylphenyl)-2-(4-chlorophenyl)acetamide

• ChemBase ID: 27538
• Molecular Formular: C16H14ClNO2
• Molecular Mass: 287.74086
• Monoisotopic Mass: 287.07130637
• SMILES: C(=O)(Nc1cc(C(=O)C)ccc1)Cc1ccc(Cl)cc1
• Canonical SMILES: O=C(Nc1cccc(c1)C(=O)C)Cc1ccc(cc1)Cl
• InChI: InChI=1S/C16H14ClNO2/c1-11(19)13-3-2-4-15(10-13)18-16(20)9-12-5-7-14(17)8-6-12/h2-8,10H,9H2,1H3,(H,18,20)
• InChIKey: SFNFPRSEHQRYSK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-acetylphenyl)-2-(4-chlorophenyl)acetamide
• IUPAC Traditional name: N-(3-acetylphenyl)-2-(4-chlorophenyl)acetamide
• Synonyms: N-(3-Acetylphenyl)-2-(4-chlorophenyl)acetamide

Database IDs

• MDL Number: MFCD01353447
• PubChem SID: 160990845
• PubChem CID: 886580

CALCULATED PROPERTIES

• Acid pKa: 13.665429
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.206988
• LogD (pH = 7.4): 3.2069879
• Log P: 3.206988
• Molar Refractivity: 80.8505 cm^3
• Polarizability: 30.395817 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