2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(oxolan-3-yl)acetamide

• ChemBase ID: 325458
• Molecular Formular: C20H25FN2O5
• Molecular Mass: 392.4213032
• Monoisotopic Mass: 392.17475013
• SMILES: C1(C(=O)N(C(=O)C1)CCOC)(CC(=O)N(C1CCOC1)C)c1c(F)cccc1
• Canonical SMILES: COCCN1C(=O)CC(C1=O)(CC(=O)N(C1COCC1)C)c1ccccc1F
• InChI: InChI=1S/C20H25FN2O5/c1-22(14-7-9-28-13-14)17(24)11-20(15-5-3-4-6-16(15)21)12-18(25)23(19(20)26)8-10-27-2/h3-6,14H,7-13H2,1-2H3
• InChIKey: ASBPRCMHARSDBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(oxolan-3-yl)acetamide
• IUPAC Traditional name: 2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(oxolan-3-yl)acetamide
• Synonyms: 2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxo-3-pyrrolidinyl]-N-methyl-N-(tetrahydro-3-furanyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.493336
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.22469813
• LogD (pH = 7.4): 0.22469826
• Log P: 0.22469826
• Molar Refractivity: 99.1006 cm^3
• Polarizability: 38.30676 Å^3
• Polar Surface Area: 76.15 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.17
• LOG S: -2.06
• Polar Surface Area: 76.15 Å^2
• Rotatable Bonds: 6