3-hydroxy-N-phenylbenzamide

• ChemBase ID: 52127
• Molecular Formular: C13H11NO2
• Molecular Mass: 213.23194
• Monoisotopic Mass: 213.0789786
• SMILES: C(=O)(c1cc(ccc1)O)Nc1ccccc1
• Canonical SMILES: Oc1cccc(c1)C(=O)Nc1ccccc1
• InChI: InChI=1S/C13H11NO2/c15-12-8-4-5-10(9-12)13(16)14-11-6-2-1-3-7-11/h1-9,15H,(H,14,16)
• InChIKey: IFEJZEHNZGEGNM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-hydroxy-N-phenylbenzamide
• IUPAC Traditional name: 3-hydroxy-N-phenylbenzamide
• Synonyms: m-Hydroxybenzanilide; 3-hydroxy-N-phenylbenzamide

Database IDs

• CAS Number: 3743-28-0
• MDL Number: MFCD00060320
• PubChem SID: 162056890
• PubChem CID: 3389917

CALCULATED PROPERTIES

• Acid pKa: 8.767675
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.7613325
• LogD (pH = 7.4): 2.74345
• Log P: 2.7615652
• Molar Refractivity: 63.5724 cm^3
• Polarizability: 23.539206 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 151 - 153°C; 153°C
• Hydrophobicity(logP): 2.322

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%