N-[(5-fluoro-2-methylphenyl)methyl]-2-[1-(3-methoxypropyl)-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide

• ChemBase ID: 841825
• Molecular Formular: C25H29FN2O4
• Molecular Mass: 440.5071632
• Monoisotopic Mass: 440.21113564
• SMILES: C1(C(=O)N(C(=O)C1)CCCOC)(c1c(C)cccc1)CC(=O)NCc1c(ccc(c1)F)C
• Canonical SMILES: COCCCN1C(=O)CC(C1=O)(CC(=O)NCc1cc(F)ccc1C)c1ccccc1C
• InChI: InChI=1S/C25H29FN2O4/c1-17-9-10-20(26)13-19(17)16-27-22(29)14-25(21-8-5-4-7-18(21)2)15-23(30)28(24(25)31)11-6-12-32-3/h4-5,7-10,13H,6,11-12,14-16H2,1-3H3,(H,27,29)
• InChIKey: CKIYCQIAQLWAHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(5-fluoro-2-methylphenyl)methyl]-2-[1-(3-methoxypropyl)-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
• IUPAC Traditional name: N-[(5-fluoro-2-methylphenyl)methyl]-2-[1-(3-methoxypropyl)-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
• Synonyms: N-(5-fluoro-2-methylbenzyl)-2-[1-(3-methoxypropyl)-3-(2-methylphenyl)-2,5-dioxo-3-pyrrolidinyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.882107
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.9110715
• LogD (pH = 7.4): 2.9110715
• Log P: 2.9110715
• Molar Refractivity: 120.1542 cm^3
• Polarizability: 45.83854 Å^3
• Polar Surface Area: 75.71 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.42
• LOG S: -5.87
• Polar Surface Area: 75.71 Å^2
• Rotatable Bonds: 8