N-cyclopropyl-5-(3-acetamidophenyl)furan-2-carboxamide

• ChemBase ID: 697222
• Molecular Formular: C16H16N2O3
• Molecular Mass: 284.30984
• Monoisotopic Mass: 284.11609238
• SMILES: c1(oc(cc1)c1cc(NC(=O)C)ccc1)C(=O)NC1CC1
• Canonical SMILES: CC(=O)Nc1cccc(c1)c1ccc(o1)C(=O)NC1CC1
• InChI: InChI=1S/C16H16N2O3/c1-10(19)17-13-4-2-3-11(9-13)14-7-8-15(21-14)16(20)18-12-5-6-12/h2-4,7-9,12H,5-6H2,1H3,(H,17,19)(H,18,20)
• InChIKey: SCNAQEMADPRKRP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-5-(3-acetamidophenyl)furan-2-carboxamide
• IUPAC Traditional name: N-cyclopropyl-5-(3-acetamidophenyl)furan-2-carboxamide
• Synonyms: 5-[3-(acetylamino)phenyl]-N-cyclopropyl-2-furamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.996645
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.3783102
• LogD (pH = 7.4): 1.3783101
• Log P: 1.3783102
• Molar Refractivity: 79.5119 cm^3
• Polarizability: 30.657684 Å^3
• Polar Surface Area: 71.34 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.57
• LOG S: -2.61
• Polar Surface Area: 71.34 Å^2
• Rotatable Bonds: 4