4-[(cyclopropylmethyl)amino]-1-[(3-fluorophenyl)methyl]pyrrolidin-2-one

• ChemBase ID: 509179
• Molecular Formular: C15H19FN2O
• Molecular Mass: 262.3225632
• Monoisotopic Mass: 262.14814146
• SMILES: N1(C(=O)CC(C1)NCC1CC1)Cc1cc(F)ccc1
• Canonical SMILES: Fc1cccc(c1)CN1CC(CC1=O)NCC1CC1
• InChI: InChI=1S/C15H19FN2O/c16-13-3-1-2-12(6-13)9-18-10-14(7-15(18)19)17-8-11-4-5-11/h1-3,6,11,14,17H,4-5,7-10H2
• InChIKey: RAAOLDYXYFUHCG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(cyclopropylmethyl)amino]-1-[(3-fluorophenyl)methyl]pyrrolidin-2-one
• IUPAC Traditional name: 4-[(cyclopropylmethyl)amino]-1-[(3-fluorophenyl)methyl]pyrrolidin-2-one
• Synonyms: 4-[(cyclopropylmethyl)amino]-1-(3-fluorobenzyl)-2-pyrrolidinone

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4650024
• LogD (pH = 7.4): -0.32345107
• Log P: 1.6985215
• Molar Refractivity: 71.5652 cm^3
• Polarizability: 27.834732 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.68
• LOG S: -1.9
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 5