N-[(3-chlorophenyl)methyl]-2-[1-cyclopentyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide

• ChemBase ID: 322840
• Molecular Formular: C25H27ClN2O4
• Molecular Mass: 454.94588
• Monoisotopic Mass: 454.16593503
• SMILES: C1(=O)N(C(=O)CC1(CC(=O)NCc1cc(Cl)ccc1)c1ccc(cc1)OC)C1CCCC1
• Canonical SMILES: COc1ccc(cc1)C1(CC(=O)NCc2cccc(c2)Cl)CC(=O)N(C1=O)C1CCCC1
• InChI: InChI=1S/C25H27ClN2O4/c1-32-21-11-9-18(10-12-21)25(14-22(29)27-16-17-5-4-6-19(26)13-17)15-23(30)28(24(25)31)20-7-2-3-8-20/h4-6,9-13,20H,2-3,7-8,14-16H2,1H3,(H,27,29)
• InChIKey: KEYHAXWIEDVVHF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3-chlorophenyl)methyl]-2-[1-cyclopentyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
• IUPAC Traditional name: N-[(3-chlorophenyl)methyl]-2-[1-cyclopentyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
• Synonyms: N-(3-chlorobenzyl)-2-[1-cyclopentyl-3-(4-methoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.781706
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.5296178
• LogD (pH = 7.4): 3.5296178
• Log P: 3.5296178
• Molar Refractivity: 121.6277 cm^3
• Polarizability: 47.449436 Å^3
• Polar Surface Area: 75.71 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 4.04
• LOG S: -6.77
• Polar Surface Area: 75.71 Å^2
• Rotatable Bonds: 6