N-(4-hydroxyphenyl)benzamide

• ChemBase ID: 234025
• Molecular Formular: C13H11NO2
• Molecular Mass: 213.23194
• Monoisotopic Mass: 213.0789786
• SMILES: C(=O)(Nc1ccc(cc1)O)c1ccccc1
• Canonical SMILES: Oc1ccc(cc1)NC(=O)c1ccccc1
• InChI: InChI=1S/C13H11NO2/c15-12-8-6-11(7-9-12)14-13(16)10-4-2-1-3-5-10/h1-9,15H,(H,14,16)
• InChIKey: CVPWYDXAVJCNAG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-hydroxyphenyl)benzamide
• IUPAC Traditional name: N-(4-hydroxyphenyl)benzamide
• Synonyms: N-(4-hydroxyphenyl)benzamide

Database IDs

• CAS Number: 15457-50-8
• MDL Number: MFCD00454145
• PubChem SID: 164289935
• PubChem CID: 459327

CALCULATED PROPERTIES

• Acid pKa: 9.438034
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.7615156
• LogD (pH = 7.4): 2.7576284
• Log P: 2.7615652
• Molar Refractivity: 63.5724 cm^3
• Polarizability: 23.538277 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 215 - 217°C
• Hydrophobicity(logP): 1.983

Product Information

• Purity: 95%