3-{[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl](methyl)amino}-N-(3-fluorophenyl)propanamide

• ChemBase ID: 838046
• Molecular Formular: C20H28FN3O2
• Molecular Mass: 361.4536232
• Monoisotopic Mass: 361.21655537
• SMILES: N1(C(=O)CC(C1)CN(CCC(=O)Nc1cc(F)ccc1)C)C1CCCC1
• Canonical SMILES: CN(CC1CC(=O)N(C1)C1CCCC1)CCC(=O)Nc1cccc(c1)F
• InChI: InChI=1S/C20H28FN3O2/c1-23(10-9-19(25)22-17-6-4-5-16(21)12-17)13-15-11-20(26)24(14-15)18-7-2-3-8-18/h4-6,12,15,18H,2-3,7-11,13-14H2,1H3,(H,22,25)
• InChIKey: OAJFAQNKUXEYRR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.59355
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.4346212
• LogD (pH = 7.4): -0.21295626
• Log P: 1.969366
• Molar Refractivity: 100.8738 cm^3
• Polarizability: 38.254658 Å^3
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.84
• LOG S: -3.41
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 7