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

• ChemBase ID: 833983
• Molecular Formular: C23H24FN3O2
• Molecular Mass: 393.4539632
• Monoisotopic Mass: 393.18525524
• SMILES: c1([nH]c2c(c1C)cc(CNC(=O)CCN1C(=O)CCC1)cc2)c1c(F)cccc1
• Canonical SMILES: O=C(NCc1ccc2c(c1)c(C)c([nH]2)c1ccccc1F)CCN1CCCC1=O
• InChI: InChI=1S/C23H24FN3O2/c1-15-18-13-16(14-25-21(28)10-12-27-11-4-7-22(27)29)8-9-20(18)26-23(15)17-5-2-3-6-19(17)24/h2-3,5-6,8-9,13,26H,4,7,10-12,14H2,1H3,(H,25,28)
• InChIKey: GRLQSIWQVPWMJI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.034049
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.822381
• LogD (pH = 7.4): 2.8223813
• Log P: 2.8223813
• Molar Refractivity: 110.6279 cm^3
• Polarizability: 44.307365 Å^3
• Polar Surface Area: 65.2 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 3.51
• LOG S: -4.79
• Polar Surface Area: 65.2 Å^2
• Rotatable Bonds: 6