2-[1-cyclopentyl-3-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N,N-bis(prop-2-en-1-yl)acetamide

• ChemBase ID: 370627
• Molecular Formular: C23H27FN2O3
• Molecular Mass: 398.4704832
• Monoisotopic Mass: 398.20057095
• SMILES: C1(C(=O)N(C(=O)C1)C1CCCC1)(CC(=O)N(CC=C)CC=C)c1cc(F)ccc1
• Canonical SMILES: C=CCN(C(=O)CC1(CC(=O)N(C1=O)C1CCCC1)c1cccc(c1)F)CC=C
• InChI: InChI=1S/C23H27FN2O3/c1-3-12-25(13-4-2)20(27)15-23(17-8-7-9-18(24)14-17)16-21(28)26(22(23)29)19-10-5-6-11-19/h3-4,7-9,14,19H,1-2,5-6,10-13,15-16H2
• InChIKey: RPDYDWPFYORXNJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[1-cyclopentyl-3-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N,N-bis(prop-2-en-1-yl)acetamide
• IUPAC Traditional name: 2-[1-cyclopentyl-3-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N,N-bis(prop-2-en-1-yl)acetamide
• Synonyms: N,N-diallyl-2-[1-cyclopentyl-3-(3-fluorophenyl)-2,5-dioxo-3-pyrrolidinyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.57482
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.1876488
• LogD (pH = 7.4): 3.187649
• Log P: 3.187649
• Molar Refractivity: 109.1856 cm^3
• Polarizability: 41.8521 Å^3
• Polar Surface Area: 57.69 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.57
• LOG S: -5.16
• Polar Surface Area: 57.69 Å^2
• Rotatable Bonds: 8