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

• ChemBase ID: 692668
• Molecular Formular: C19H19FN2O2
• Molecular Mass: 326.3647632
• Monoisotopic Mass: 326.14305608
• SMILES: N1(C(=O)CC(C1)NC(=O)Cc1ccccc1)Cc1cc(F)ccc1
• Canonical SMILES: O=C(NC1CC(=O)N(C1)Cc1cccc(c1)F)Cc1ccccc1
• InChI: InChI=1S/C19H19FN2O2/c20-16-8-4-7-15(9-16)12-22-13-17(11-19(22)24)21-18(23)10-14-5-2-1-3-6-14/h1-9,17H,10-13H2,(H,21,23)
• InChIKey: GMKGQJLIHQOXII-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.790869
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.1385503
• LogD (pH = 7.4): 2.1385503
• Log P: 2.1385503
• Molar Refractivity: 89.0143 cm^3
• Polarizability: 34.158653 Å^3
• Polar Surface Area: 49.41 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: 3.08
• LOG S: -3.56
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 5