N-[4-(aminomethyl)phenyl]-2-hydroxybenzamide

• ChemBase ID: 243577
• Molecular Formular: C14H14N2O2
• Molecular Mass: 242.27316
• Monoisotopic Mass: 242.1055277
• SMILES: C(=O)(c1c(O)cccc1)Nc1ccc(cc1)CN
• Canonical SMILES: NCc1ccc(cc1)NC(=O)c1ccccc1O
• InChI: InChI=1S/C14H14N2O2/c15-9-10-5-7-11(8-6-10)16-14(18)12-3-1-2-4-13(12)17/h1-8,17H,9,15H2,(H,16,18)
• InChIKey: HJXDCJDHQUQKKW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-(aminomethyl)phenyl]-2-hydroxybenzamide
• IUPAC Traditional name: N-[4-(aminomethyl)phenyl]-2-hydroxybenzamide
• Synonyms: N-[4-(aminomethyl)phenyl]-2-hydroxybenzamide

Database IDs

• MDL Number: MFCD09043589
• PubChem SID: 164299487
• PubChem CID: 16771291

CALCULATED PROPERTIES

• Acid pKa: 7.917193
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -0.92466855
• LogD (pH = 7.4): 0.47257578
• Log P: 0.95421904
• Molar Refractivity: 72.0458 cm^3
• Polarizability: 26.905409 Å^3
• Polar Surface Area: 75.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.224

Product Information

• Purity: 95%