N-[(2,4-difluorophenyl)methyl]-2-[1-(2-methoxyethyl)-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide

• ChemBase ID: 321654
• Molecular Formular: C23H24F2N2O4
• Molecular Mass: 430.4444664
• Monoisotopic Mass: 430.1704137
• SMILES: C1(C(=O)N(C(=O)C1)CCOC)(c1c(C)cccc1)CC(=O)NCc1c(cc(cc1)F)F
• Canonical SMILES: COCCN1C(=O)CC(C1=O)(CC(=O)NCc1ccc(cc1F)F)c1ccccc1C
• InChI: InChI=1S/C23H24F2N2O4/c1-15-5-3-4-6-18(15)23(13-21(29)27(22(23)30)9-10-31-2)12-20(28)26-14-16-7-8-17(24)11-19(16)25/h3-8,11H,9-10,12-14H2,1-2H3,(H,26,28)
• InChIKey: OTXONNCTTYCHIB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2,4-difluorophenyl)methyl]-2-[1-(2-methoxyethyl)-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
• IUPAC Traditional name: N-[(2,4-difluorophenyl)methyl]-2-[1-(2-methoxyethyl)-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
• Synonyms: N-(2,4-difluorobenzyl)-2-[1-(2-methoxyethyl)-3-(2-methylphenyl)-2,5-dioxo-3-pyrrolidinyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.257998
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.4803922
• LogD (pH = 7.4): 2.4803922
• Log P: 2.4803922
• Molar Refractivity: 110.464 cm^3
• Polarizability: 41.973618 Å^3
• Polar Surface Area: 75.71 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.96
• LOG S: -5.23
• Polar Surface Area: 75.71 Å^2
• Rotatable Bonds: 7