5-(2-phenoxyphenyl)furan-2-carboxamide

• ChemBase ID: 860920
• Molecular Formular: C17H13NO3
• Molecular Mass: 279.29002
• Monoisotopic Mass: 279.08954328
• SMILES: c1(oc(C(=O)N)cc1)c1c(Oc2ccccc2)cccc1
• Canonical SMILES: NC(=O)c1ccc(o1)c1ccccc1Oc1ccccc1
• InChI: InChI=1S/C17H13NO3/c18-17(19)16-11-10-15(21-16)13-8-4-5-9-14(13)20-12-6-2-1-3-7-12/h1-11H,(H2,18,19)
• InChIKey: YNZYBVMHIKORGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2-phenoxyphenyl)furan-2-carboxamide
• IUPAC Traditional name: 5-(2-phenoxyphenyl)furan-2-carboxamide
• Synonyms: 5-(2-phenoxyphenyl)-2-furamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.984403
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.9516463
• LogD (pH = 7.4): 2.9516466
• Log P: 2.9516463
• Molar Refractivity: 78.7818 cm^3
• Polarizability: 31.323944 Å^3
• Polar Surface Area: 65.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.47
• LOG S: -4.2
• Polar Surface Area: 65.46 Å^2
• Rotatable Bonds: 4