N-[4-(4-acetamidophenyl)phenyl]acetamide

• ChemBase ID: 112196
• Molecular Formular: C16H16N2O2
• Molecular Mass: 268.31044
• Monoisotopic Mass: 268.12117776
• SMILES: CC(=O)Nc1ccc(cc1)c1ccc(NC(=O)C)cc1
• Canonical SMILES: CC(=O)Nc1ccc(cc1)c1ccc(cc1)NC(=O)C
• InChI: InChI=1S/C16H16N2O2/c1-11(19)17-15-7-3-13(4-8-15)14-5-9-16(10-6-14)18-12(2)20/h3-10H,1-2H3,(H,17,19)(H,18,20)
• InChIKey: CZVHCFKUXGRABC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-(4-acetamidophenyl)phenyl]acetamide
• IUPAC Traditional name: N-[4-(4-acetamidophenyl)phenyl]acetamide
• Synonyms: N,N'-DIACETYL BENZIDINE; N,N'-[1,1'-Biphenyl]-4,4'-diylbis-acetamide; 4,4'-Diacetamidobiphenyl; 4,4'-Diacetylamino-1,1'-biphenyl; 4,4'-Diacetylaminobiphenyl; 4,4'-Diacetylbenzidine; Diacetylbenzidine; N,N'-Diacetyl-4,4'-benzidine; NSC 12409; NSC 4717; Diacetylbenzidine

Database IDs

• CAS Number: 613-35-4
• EC Number: 210-338-2
• PubChem SID: 162096902
• PubChem CID: 11942

CALCULATED PROPERTIES

• Acid pKa: 14.037691
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.095892
• LogD (pH = 7.4): 2.0958917
• Log P: 2.095892
• Molar Refractivity: 80.9202 cm^3
• Polarizability: 31.047604 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO
• Apperance: Off-White Crystalline Solid

Safety Information

• RTECS: DT2800000
• European Hazard Symbols: Harmful (Xn)
• Risk Statements: R:20/21/22
• Safety Statements: S:22-36