N-(3-hydroxyphenyl)benzamide

• ChemBase ID: 7801
• Molecular Formular: C13H11NO2
• Molecular Mass: 213.23194
• Monoisotopic Mass: 213.0789786
• SMILES: c1cccc(c1)C(=O)Nc1cc(ccc1)O
• Canonical SMILES: Oc1cccc(c1)NC(=O)c1ccccc1
• InChI: InChI=1S/C13H11NO2/c15-12-8-4-7-11(9-12)14-13(16)10-5-2-1-3-6-10/h1-9,15H,(H,14,16)
• InChIKey: SYNOBHNBCHZOHG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-hydroxyphenyl)benzamide
• IUPAC Traditional name: N-(3-hydroxyphenyl)benzamide
• Synonyms: N-(3-hydroxyphenyl)benzamide; 3-Hydroxybenzanilide

Database IDs

• CAS Number: 3743-28-0
• MDL Number: MFCD00068823
• PubChem SID: 160971108
• PubChem CID: 836140

CALCULATED PROPERTIES

• Acid pKa: 9.228249
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.7614846
• LogD (pH = 7.4): 2.755203
• Log P: 2.7615652
• Molar Refractivity: 63.5724 cm^3
• Polarizability: 23.539091 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 153°C; 171 - 173°C
• Hydrophobicity(logP): 1.983

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%