N-benzyl-3-hydroxybenzamide

• ChemBase ID: 232284
• Molecular Formular: C14H13NO2
• Molecular Mass: 227.25852
• Monoisotopic Mass: 227.09462866
• SMILES: C(=O)(NCc1ccccc1)c1cc(O)ccc1
• Canonical SMILES: Oc1cccc(c1)C(=O)NCc1ccccc1
• InChI: InChI=1S/C14H13NO2/c16-13-8-4-7-12(9-13)14(17)15-10-11-5-2-1-3-6-11/h1-9,16H,10H2,(H,15,17)
• InChIKey: CMTKGWDQXAODLW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-3-hydroxybenzamide
• IUPAC Traditional name: N-benzyl-3-hydroxybenzamide
• Synonyms: N-Benzyl-3-hydroxy-benzamide

Database IDs

• CAS Number: 15789-02-3
• MDL Number: MFCD01017229
• PubChem SID: 164288194
• PubChem CID: 2394019

CALCULATED PROPERTIES

• Acid pKa: 8.824286
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.4682655
• LogD (pH = 7.4): 2.4525268
• Log P: 2.4684699
• Molar Refractivity: 66.6266 cm^3
• Polarizability: 25.196127 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 140 - 142°C
• Hydrophobicity(logP): 2.501

Product Information

• Purity: 95%