N-(4-acetylphenyl)-4-(propan-2-yl)benzamide

• ChemBase ID: 311453
• Molecular Formular: C18H19NO2
• Molecular Mass: 281.34896
• Monoisotopic Mass: 281.14157885
• SMILES: C(=O)(Nc1ccc(C(=O)C)cc1)c1ccc(cc1)C(C)C
• Canonical SMILES: CC(c1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)C)C
• InChI: InChI=1S/C18H19NO2/c1-12(2)14-4-6-16(7-5-14)18(21)19-17-10-8-15(9-11-17)13(3)20/h4-12H,1-3H3,(H,19,21)
• InChIKey: UGDDEIFVMBNURG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-acetylphenyl)-4-(propan-2-yl)benzamide
• IUPAC Traditional name: N-(4-acetylphenyl)-4-isopropylbenzamide
• Synonyms: N-(4-acetylphenyl)-4-isopropylbenzamide

Database IDs

• CAS Number: 352689-64-6
• MDL Number: MFCD01355874

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.8677874
• LogD (pH = 7.4): 3.8677871
• Log P: 3.8677874
• Molar Refractivity: 86.1851 cm^3
• Polarizability: 32.123573 Å^3
• Polar Surface Area: 46.17 Å^2