N-{[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl}-2-(2-oxopyrrolidin-1-yl)propanamide

• ChemBase ID: 387104
• Molecular Formular: C23H24FN3O2
• Molecular Mass: 393.4539632
• Monoisotopic Mass: 393.18525524
• SMILES: c1([nH]c2c(c1C)cc(CNC(=O)C(N1C(=O)CCC1)C)cc2)c1c(F)cccc1
• Canonical SMILES: O=C(C(N1CCCC1=O)C)NCc1ccc2c(c1)c(C)c([nH]2)c1ccccc1F
• InChI: InChI=1S/C23H24FN3O2/c1-14-18-12-16(13-25-23(29)15(2)27-11-5-8-21(27)28)9-10-20(18)26-22(14)17-6-3-4-7-19(17)24/h3-4,6-7,9-10,12,15,26H,5,8,11,13H2,1-2H3,(H,25,29)
• InChIKey: FGBOGENCWAVKMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl}-2-(2-oxopyrrolidin-1-yl)propanamide
• IUPAC Traditional name: N-{[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl}-2-(2-oxopyrrolidin-1-yl)propanamide
• Synonyms: N-{[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl}-2-(2-oxopyrrolidin-1-yl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.799271
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.1541326
• LogD (pH = 7.4): 3.1541326
• Log P: 3.1541326
• Molar Refractivity: 110.4224 cm^3
• Polarizability: 44.307365 Å^3
• Polar Surface Area: 65.2 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 3.51
• LOG S: -5.07
• Polar Surface Area: 65.2 Å^2
• Rotatable Bonds: 5