2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-[1-(4-methoxyphenyl)ethyl]-N-methylacetamide

• ChemBase ID: 394613
• Molecular Formular: C25H29FN2O5
• Molecular Mass: 456.5065632
• Monoisotopic Mass: 456.20605026
• SMILES: C1(C(=O)N(C(=O)C1)CCOC)(CC(=O)N(C(c1ccc(cc1)OC)C)C)c1c(F)cccc1
• Canonical SMILES: COCCN1C(=O)CC(C1=O)(CC(=O)N(C(c1ccc(cc1)OC)C)C)c1ccccc1F
• InChI: InChI=1S/C25H29FN2O5/c1-17(18-9-11-19(33-4)12-10-18)27(2)22(29)15-25(20-7-5-6-8-21(20)26)16-23(30)28(24(25)31)13-14-32-3/h5-12,17H,13-16H2,1-4H3
• InChIKey: RSDGIXLZBBQELG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-[1-(4-methoxyphenyl)ethyl]-N-methylacetamide
• IUPAC Traditional name: 2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-[1-(4-methoxyphenyl)ethyl]-N-methylacetamide
• Synonyms: 2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxo-3-pyrrolidinyl]-N-[1-(4-methoxyphenyl)ethyl]-N-methylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.49333
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.3068488
• LogD (pH = 7.4): 2.3068488
• Log P: 2.3068488
• Molar Refractivity: 120.9851 cm^3
• Polarizability: 46.691048 Å^3
• Polar Surface Area: 76.15 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.78
• LOG S: -3.72
• Polar Surface Area: 76.15 Å^2
• Rotatable Bonds: 7