N-[2-(4-chlorophenyl)ethyl]-2-(3-methoxy-2-oxo-1,2-dihydropyridin-1-yl)acetamide

• ChemBase ID: 316165
• Molecular Formular: C16H17ClN2O3
• Molecular Mass: 320.77078
• Monoisotopic Mass: 320.09277009
• SMILES: n1(c(=O)c(ccc1)OC)CC(=O)NCCc1ccc(Cl)cc1
• Canonical SMILES: COc1cccn(c1=O)CC(=O)NCCc1ccc(cc1)Cl
• InChI: InChI=1S/C16H17ClN2O3/c1-22-14-3-2-10-19(16(14)21)11-15(20)18-9-8-12-4-6-13(17)7-5-12/h2-7,10H,8-9,11H2,1H3,(H,18,20)
• InChIKey: FKLPOZSEAHDBQV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(4-chlorophenyl)ethyl]-2-(3-methoxy-2-oxo-1,2-dihydropyridin-1-yl)acetamide
• IUPAC Traditional name: N-[2-(4-chlorophenyl)ethyl]-2-(3-methoxy-2-oxopyridin-1-yl)acetamide
• Synonyms: N-[2-(4-chlorophenyl)ethyl]-2-(3-methoxy-2-oxopyridin-1(2H)-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.652595
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.6184368
• LogD (pH = 7.4): 1.6184367
• Log P: 1.6184368
• Molar Refractivity: 86.6365 cm^3
• Polarizability: 32.53521 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.63
• LOG S: -2.93
• Polar Surface Area: 60.33 Å^2
• Rotatable Bonds: 6