2-amino-N-[2-(4-acetamidophenyl)phenyl]acetamide

• ChemBase ID: 430921
• Molecular Formular: C16H17N3O2
• Molecular Mass: 283.32508
• Monoisotopic Mass: 283.1320768
• SMILES: c1(NC(=O)CN)c(c2ccc(NC(=O)C)cc2)cccc1
• Canonical SMILES: NCC(=O)Nc1ccccc1c1ccc(cc1)NC(=O)C
• InChI: InChI=1S/C16H17N3O2/c1-11(20)18-13-8-6-12(7-9-13)14-4-2-3-5-15(14)19-16(21)10-17/h2-9H,10,17H2,1H3,(H,18,20)(H,19,21)
• InChIKey: XRIWGUXSGVMDKK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-[2-(4-acetamidophenyl)phenyl]acetamide
• IUPAC Traditional name: 2-amino-N-[2-(4-acetamidophenyl)phenyl]acetamide
• Synonyms: N~1~-[4'-(acetylamino)biphenyl-2-yl]glycinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.90487
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -1.2012858
• LogD (pH = 7.4): 0.49310586
• Log P: 1.1717621
• Molar Refractivity: 84.2799 cm^3
• Polarizability: 32.57358 Å^3
• Polar Surface Area: 84.22 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 3
• Log P: -0.4
• LOG S: -2.23
• Polar Surface Area: 84.22 Å^2
• Rotatable Bonds: 4