N-[2-(3-fluorophenyl)ethyl]-2-[1-(3-methoxypropyl)-2,5-dioxo-3-phenylpyrrolidin-3-yl]acetamide

• ChemBase ID: 320426
• Molecular Formular: C24H27FN2O4
• Molecular Mass: 426.4805832
• Monoisotopic Mass: 426.19548557
• SMILES: C1(=O)C(CC(=O)N1CCCOC)(CC(=O)NCCc1cc(F)ccc1)c1ccccc1
• Canonical SMILES: COCCCN1C(=O)CC(C1=O)(CC(=O)NCCc1cccc(c1)F)c1ccccc1
• InChI: InChI=1S/C24H27FN2O4/c1-31-14-6-13-27-22(29)17-24(23(27)30,19-8-3-2-4-9-19)16-21(28)26-12-11-18-7-5-10-20(25)15-18/h2-5,7-10,15H,6,11-14,16-17H2,1H3,(H,26,28)
• InChIKey: NYMVSWZPYHIQSY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(3-fluorophenyl)ethyl]-2-[1-(3-methoxypropyl)-2,5-dioxo-3-phenylpyrrolidin-3-yl]acetamide
• IUPAC Traditional name: N-[2-(3-fluorophenyl)ethyl]-2-[1-(3-methoxypropyl)-2,5-dioxo-3-phenylpyrrolidin-3-yl]acetamide
• Synonyms: N-[2-(3-fluorophenyl)ethyl]-2-[1-(3-methoxypropyl)-2,5-dioxo-3-phenyl-3-pyrrolidinyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.974031
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.17289
• LogD (pH = 7.4): 2.17289
• Log P: 2.17289
• Molar Refractivity: 114.8268 cm^3
• Polarizability: 44.15536 Å^3
• Polar Surface Area: 75.71 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.7
• LOG S: -6.04
• Polar Surface Area: 75.71 Å^2
• Rotatable Bonds: 9