N-{1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl}-2,2,3,3-tetramethylcyclopropane-1-carboxamide

• ChemBase ID: 419116
• Molecular Formular: C19H25FN2O2
• Molecular Mass: 332.4124032
• Monoisotopic Mass: 332.19000627
• SMILES: C1(C(C1C(=O)NC1CC(=O)N(C1)Cc1ccc(F)cc1)(C)C)(C)C
• Canonical SMILES: O=C(C1C(C1(C)C)(C)C)NC1CN(C(=O)C1)Cc1ccc(cc1)F
• InChI: InChI=1S/C19H25FN2O2/c1-18(2)16(19(18,3)4)17(24)21-14-9-15(23)22(11-14)10-12-5-7-13(20)8-6-12/h5-8,14,16H,9-11H2,1-4H3,(H,21,24)
• InChIKey: FQKRIZPKKDHYOY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl}-2,2,3,3-tetramethylcyclopropane-1-carboxamide
• IUPAC Traditional name: N-{1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl}-2,2,3,3-tetramethylcyclopropane-1-carboxamide
• Synonyms: N-[1-(4-fluorobenzyl)-5-oxopyrrolidin-3-yl]-2,2,3,3-tetramethylcyclopropanecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.923695
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.258139
• LogD (pH = 7.4): 2.2581391
• Log P: 2.2581391
• Molar Refractivity: 89.739 cm^3
• Polarizability: 34.897663 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.36
• LOG S: -3.64
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 4