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

• ChemBase ID: 335992
• Molecular Formular: C24H27FN2O5
• Molecular Mass: 442.4799832
• Monoisotopic Mass: 442.19040019
• SMILES: C1(C(=O)N(C(=O)C1)CCOC)(CC(=O)N(Cc1ccc(F)cc1)C)c1c(OC)cccc1
• Canonical SMILES: COCCN1C(=O)CC(C1=O)(CC(=O)N(Cc1ccc(cc1)F)C)c1ccccc1OC
• InChI: InChI=1S/C24H27FN2O5/c1-26(16-17-8-10-18(25)11-9-17)21(28)14-24(19-6-4-5-7-20(19)32-3)15-22(29)27(23(24)30)12-13-31-2/h4-11H,12-16H2,1-3H3
• InChIKey: NIWJMWFFEYEYGP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.50341
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.8902737
• LogD (pH = 7.4): 1.8902738
• Log P: 1.8902738
• Molar Refractivity: 116.5663 cm^3
• Polarizability: 44.858887 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: 2.47
• LOG S: -3.76
• Polar Surface Area: 76.15 Å^2
• Rotatable Bonds: 7