N-(3-hydroxyphenyl)furan-2-carboxamide

• ChemBase ID: 274909
• Molecular Formular: C11H9NO3
• Molecular Mass: 203.19406
• Monoisotopic Mass: 203.05824315
• SMILES: C(=O)(c1occc1)Nc1cc(O)ccc1
• Canonical SMILES: Oc1cccc(c1)NC(=O)c1ccco1
• InChI: InChI=1S/C11H9NO3/c13-9-4-1-3-8(7-9)12-11(14)10-5-2-6-15-10/h1-7,13H,(H,12,14)
• InChIKey: YMMLYZBIXTXDLR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-hydroxyphenyl)furan-2-carboxamide
• IUPAC Traditional name: N-(3-hydroxyphenyl)furan-2-carboxamide
• Synonyms: N-(3-hydroxyphenyl)-2-furamide; N-(3-hydroxyphenyl)furan-2-carboxamide

Database IDs

• CAS Number: 55679-22-6
• MDL Number: MFCD00626273
• PubChem SID: 164330819
• PubChem CID: 831141

CALCULATED PROPERTIES

• Acid pKa: 9.185758
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.8217301
• LogD (pH = 7.4): 1.8153604
• Log P: 1.8218119
• Molar Refractivity: 55.9633 cm^3
• Polarizability: 20.435167 Å^3
• Polar Surface Area: 62.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 164 - 166°C
• Hydrophobicity(logP): 1.159

Product Information

• Purity: 95%