N-{1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl}cyclopentanecarboxamide

• ChemBase ID: 606476
• Molecular Formular: C18H23ClN2O2
• Molecular Mass: 334.84042
• Monoisotopic Mass: 334.14480567
• SMILES: N1(C(=O)CC(NC(=O)C2CCCC2)C1)CCc1cc(Cl)ccc1
• Canonical SMILES: O=C(C1CCCC1)NC1CC(=O)N(C1)CCc1cccc(c1)Cl
• InChI: InChI=1S/C18H23ClN2O2/c19-15-7-3-4-13(10-15)8-9-21-12-16(11-17(21)22)20-18(23)14-5-1-2-6-14/h3-4,7,10,14,16H,1-2,5-6,8-9,11-12H2,(H,20,23)
• InChIKey: JRPOAJAETWVGKC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl}cyclopentanecarboxamide
• IUPAC Traditional name: N-{1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl}cyclopentanecarboxamide
• Synonyms: N-{1-[2-(3-chlorophenyl)ethyl]-5-oxo-3-pyrrolidinyl}cyclopentanecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.883178
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.7231479
• LogD (pH = 7.4): 2.7231479
• Log P: 2.7231479
• Molar Refractivity: 90.237 cm^3
• Polarizability: 35.261166 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 4.05
• LOG S: -3.77
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 5