N-{1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl}-2-(2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)acetamide

• ChemBase ID: 609972
• Molecular Formular: C19H21FN4O3
• Molecular Mass: 372.3934432
• Monoisotopic Mass: 372.15976877
• SMILES: c1(c(=O)[nH]c(nc1)C)CC(=O)NC1CC(=O)N(C1)CCc1ccc(F)cc1
• Canonical SMILES: O=C(Cc1cnc([nH]c1=O)C)NC1CC(=O)N(C1)CCc1ccc(cc1)F
• InChI: InChI=1S/C19H21FN4O3/c1-12-21-10-14(19(27)22-12)8-17(25)23-16-9-18(26)24(11-16)7-6-13-2-4-15(20)5-3-13/h2-5,10,16H,6-9,11H2,1H3,(H,23,25)(H,21,22,27)
• InChIKey: VQDJMAPCVVBUCZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl}-2-(2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)acetamide
• IUPAC Traditional name: N-{1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl}-2-(2-methyl-4-oxo-3H-pyrimidin-5-yl)acetamide
• Synonyms: N-{1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl}-2-(2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.235162
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.17308605
• LogD (pH = 7.4): -0.17856808
• Log P: -0.17298916
• Molar Refractivity: 96.3769 cm^3
• Polarizability: 36.665745 Å^3
• Polar Surface Area: 90.87 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.0
• LOG S: -3.23
• Polar Surface Area: 95.16 Å^2
• Rotatable Bonds: 6