N-(2,3-dihydro-1H-inden-2-yl)-2-(furan-2-yl)-2-oxoacetamide

• ChemBase ID: 409234
• Molecular Formular: C15H13NO3
• Molecular Mass: 255.26862
• Monoisotopic Mass: 255.08954328
• SMILES: C(=O)(C(=O)NC1Cc2c(C1)cccc2)c1occc1
• Canonical SMILES: O=C(c1ccco1)C(=O)NC1Cc2c(C1)cccc2
• InChI: InChI=1S/C15H13NO3/c17-14(13-6-3-7-19-13)15(18)16-12-8-10-4-1-2-5-11(10)9-12/h1-7,12H,8-9H2,(H,16,18)
• InChIKey: BXAJUOGSDXSOEX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,3-dihydro-1H-inden-2-yl)-2-(furan-2-yl)-2-oxoacetamide
• IUPAC Traditional name: N-(2,3-dihydro-1H-inden-2-yl)-2-(furan-2-yl)-2-oxoacetamide
• Synonyms: N-(2,3-dihydro-1H-inden-2-yl)-2-(2-furyl)-2-oxoacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.817373
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.0802572
• LogD (pH = 7.4): 2.0802429
• Log P: 2.0802574
• Molar Refractivity: 69.7129 cm^3
• Polarizability: 26.536406 Å^3
• Polar Surface Area: 59.31 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: 1.75
• LOG S: -2.56
• Polar Surface Area: 59.31 Å^2
• Rotatable Bonds: 3