N-[4-(3-acetamidophenyl)phenyl]-N-methylacetamide

• ChemBase ID: 399611
• Molecular Formular: C17H18N2O2
• Molecular Mass: 282.33702
• Monoisotopic Mass: 282.13682783
• SMILES: N(C(=O)C)(c1ccc(c2cc(NC(=O)C)ccc2)cc1)C
• Canonical SMILES: CC(=O)Nc1cccc(c1)c1ccc(cc1)N(C(=O)C)C
• InChI: InChI=1S/C17H18N2O2/c1-12(20)18-16-6-4-5-15(11-16)14-7-9-17(10-8-14)19(3)13(2)21/h4-11H,1-3H3,(H,18,20)
• InChIKey: VFPOYZTXUOXDLH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-(3-acetamidophenyl)phenyl]-N-methylacetamide
• IUPAC Traditional name: N-[4-(3-acetamidophenyl)phenyl]-N-methylacetamide
• Synonyms: N-[3'-(acetylamino)biphenyl-4-yl]-N-methylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.216466
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.959958
• LogD (pH = 7.4): 1.959958
• Log P: 1.959958
• Molar Refractivity: 84.0361 cm^3
• Polarizability: 32.893856 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.01
• LOG S: -2.98
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 3