N-(4-acetylphenyl)-2-chloro-2-phenylacetamide

• ChemBase ID: 72440
• Molecular Formular: C16H14ClNO2
• Molecular Mass: 287.74086
• Monoisotopic Mass: 287.07130637
• SMILES: C(=O)(Nc1ccc(C(=O)C)cc1)C(c1ccccc1)Cl
• Canonical SMILES: ClC(c1ccccc1)C(=O)Nc1ccc(cc1)C(=O)C
• InChI: InChI=1S/C16H14ClNO2/c1-11(19)12-7-9-14(10-8-12)18-16(20)15(17)13-5-3-2-4-6-13/h2-10,15H,1H3,(H,18,20)
• InChIKey: OAZITOFUWOFKDO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-acetylphenyl)-2-chloro-2-phenylacetamide
• IUPAC Traditional name: N-(4-acetylphenyl)-2-chloro-2-phenylacetamide
• Synonyms: N-(4-Acetylphenyl)-2-chloro-2-phenylacetamide

Database IDs

• PubChem SID: 162104192
• PubChem CID: 12930522

CALCULATED PROPERTIES

• Acid pKa: 12.700044
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.2423768
• LogD (pH = 7.4): 3.242375
• Log P: 3.2423768
• Molar Refractivity: 80.4349 cm^3
• Polarizability: 30.353218 Å^3
• Polar Surface Area: 46.17 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT