2-amino-N-benzyl-5-hydroxybenzamide

• ChemBase ID: 276192
• Molecular Formular: C14H14N2O2
• Molecular Mass: 242.27316
• Monoisotopic Mass: 242.1055277
• SMILES: c1(C(=O)NCc2ccccc2)c(ccc(c1)O)N
• Canonical SMILES: Oc1ccc(c(c1)C(=O)NCc1ccccc1)N
• InChI: InChI=1S/C14H14N2O2/c15-13-7-6-11(17)8-12(13)14(18)16-9-10-4-2-1-3-5-10/h1-8,17H,9,15H2,(H,16,18)
• InChIKey: GJDITJFVEVGBSW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-benzyl-5-hydroxybenzamide
• IUPAC Traditional name: 2-amino-N-benzyl-5-hydroxybenzamide
• Synonyms: 2-amino-N-benzyl-5-hydroxybenzamide

Database IDs

• MDL Number: MFCD19382071
• PubChem SID: 164332102
• PubChem CID: 54594052

CALCULATED PROPERTIES

• Acid pKa: 9.754345
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 2.27954
• LogD (pH = 7.4): 2.287494
• Log P: 2.289544
• Molar Refractivity: 71.327 cm^3
• Polarizability: 26.335726 Å^3
• Polar Surface Area: 75.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 154 - 156°C
• Hydrophobicity(logP): 1.97

Product Information

• Purity: 95%