N-(4-amino-2-methoxyphenyl)benzamide

• ChemBase ID: 45506
• Molecular Formular: C14H14N2O2
• Molecular Mass: 242.27316
• Monoisotopic Mass: 242.1055277
• SMILES: C(=O)(Nc1c(cc(N)cc1)OC)c1ccccc1
• Canonical SMILES: COc1cc(N)ccc1NC(=O)c1ccccc1
• InChI: InChI=1S/C14H14N2O2/c1-18-13-9-11(15)7-8-12(13)16-14(17)10-5-3-2-4-6-10/h2-9H,15H2,1H3,(H,16,17)
• InChIKey: CBJLTJSNVSPCNO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-amino-2-methoxyphenyl)benzamide
• IUPAC Traditional name: N-(4-amino-2-methoxyphenyl)benzamide
• Synonyms: N-(4-Amino-2-methoxyphenyl)benzamide

Database IDs

• MDL Number: MFCD03166488
• PubChem SID: 162050269
• PubChem CID: 269058

CALCULATED PROPERTIES

• Acid pKa: 11.868196
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.0734155
• LogD (pH = 7.4): 2.0784545
• Log P: 2.0785334
• Molar Refractivity: 72.7551 cm^3
• Polarizability: 26.592476 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false