N-benzyl-2-hydroxybenzamide

• ChemBase ID: 231783
• Molecular Formular: C14H13NO2
• Molecular Mass: 227.25852
• Monoisotopic Mass: 227.09462866
• SMILES: c1(C(=O)NCc2ccccc2)c(O)cccc1
• Canonical SMILES: O=C(c1ccccc1O)NCc1ccccc1
• InChI: InChI=1S/C14H13NO2/c16-13-9-5-4-8-12(13)14(17)15-10-11-6-2-1-3-7-11/h1-9,16H,10H2,(H,15,17)
• InChIKey: FVJQVTFCHRSIMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-2-hydroxybenzamide
• IUPAC Traditional name: N-benzyl-2-hydroxybenzamide
• Synonyms: N-Benzyl-2-hydroxy-benzamide

Database IDs

• CAS Number: 20919-36-2
• MDL Number: MFCD00599624
• PubChem SID: 164287693
• PubChem CID: 561227

CALCULATED PROPERTIES

• Acid pKa: 8.189995
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.1175904
• LogD (pH = 7.4): 3.0537
• Log P: 3.11847
• Molar Refractivity: 66.6266 cm^3
• Polarizability: 25.198187 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 79 - 81°C
• Hydrophobicity(logP): 3.451

Product Information

• Purity: 95%