N-(5-oxo-1-phenylpyrrolidin-3-yl)furan-3-carboxamide

• ChemBase ID: 863345
• Molecular Formular: C15H14N2O3
• Molecular Mass: 270.28326
• Monoisotopic Mass: 270.10044232
• SMILES: N1(C(=O)CC(NC(=O)c2cocc2)C1)c1ccccc1
• Canonical SMILES: O=C1CC(CN1c1ccccc1)NC(=O)c1cocc1
• InChI: InChI=1S/C15H14N2O3/c18-14-8-12(16-15(19)11-6-7-20-10-11)9-17(14)13-4-2-1-3-5-13/h1-7,10,12H,8-9H2,(H,16,19)
• InChIKey: JJPUIIIPEJNVHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(5-oxo-1-phenylpyrrolidin-3-yl)furan-3-carboxamide
• IUPAC Traditional name: N-(5-oxo-1-phenylpyrrolidin-3-yl)furan-3-carboxamide
• Synonyms: N-(5-oxo-1-phenyl-3-pyrrolidinyl)-3-furamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.129303
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.0894138
• LogD (pH = 7.4): 1.0894138
• Log P: 1.0894139
• Molar Refractivity: 72.4249 cm^3
• Polarizability: 27.484901 Å^3
• Polar Surface Area: 62.55 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.24
• LOG S: -2.23
• Polar Surface Area: 62.55 Å^2
• Rotatable Bonds: 3