3-(2-fluorophenyl)-N-[3-(2-oxo-1,2-dihydropyridin-1-yl)propyl]-3-phenylpropanamide

• ChemBase ID: 439657
• Molecular Formular: C23H23FN2O2
• Molecular Mass: 378.4393232
• Monoisotopic Mass: 378.17435621
• SMILES: n1(c(=O)cccc1)CCCNC(=O)CC(c1c(F)cccc1)c1ccccc1
• Canonical SMILES: O=C(CC(c1ccccc1F)c1ccccc1)NCCCn1ccccc1=O
• InChI: InChI=1S/C23H23FN2O2/c24-21-12-5-4-11-19(21)20(18-9-2-1-3-10-18)17-22(27)25-14-8-16-26-15-7-6-13-23(26)28/h1-7,9-13,15,20H,8,14,16-17H2,(H,25,27)
• InChIKey: DTFGGHORRIXXRQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-fluorophenyl)-N-[3-(2-oxo-1,2-dihydropyridin-1-yl)propyl]-3-phenylpropanamide
• IUPAC Traditional name: 3-(2-fluorophenyl)-N-[3-(2-oxopyridin-1-yl)propyl]-3-phenylpropanamide
• Synonyms: 3-(2-fluorophenyl)-N-[3-(2-oxopyridin-1(2H)-yl)propyl]-3-phenylpropanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.209993
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.164794
• LogD (pH = 7.4): 3.164794
• Log P: 3.164794
• Molar Refractivity: 109.3839 cm^3
• Polarizability: 41.030483 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.75
• LOG S: -4.31
• Polar Surface Area: 51.1 Å^2
• Rotatable Bonds: 8