4-(2-cyclopropaneamidophenyl)-N,N-dimethylbenzamide

• ChemBase ID: 668869
• Molecular Formular: C19H20N2O2
• Molecular Mass: 308.3743
• Monoisotopic Mass: 308.15247789
• SMILES: C(=O)(Nc1c(c2ccc(C(=O)N(C)C)cc2)cccc1)C1CC1
• Canonical SMILES: O=C(C1CC1)Nc1ccccc1c1ccc(cc1)C(=O)N(C)C
• InChI: InChI=1S/C19H20N2O2/c1-21(2)19(23)15-11-7-13(8-12-15)16-5-3-4-6-17(16)20-18(22)14-9-10-14/h3-8,11-12,14H,9-10H2,1-2H3,(H,20,22)
• InChIKey: NZXJHAMVVZYTGJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-cyclopropaneamidophenyl)-N,N-dimethylbenzamide
• IUPAC Traditional name: 4-(2-cyclopropaneamidophenyl)-N,N-dimethylbenzamide
• Synonyms: 2'-[(cyclopropylcarbonyl)amino]-N,N-dimethylbiphenyl-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.357271
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.93597
• LogD (pH = 7.4): 2.9359698
• Log P: 2.9359703
• Molar Refractivity: 92.3282 cm^3
• Polarizability: 35.640648 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 0.49
• LOG S: -1.87
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 4