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

• ChemBase ID: 72297
• Molecular Formular: C14H14N2O2
• Molecular Mass: 242.27316
• Monoisotopic Mass: 242.1055277
• SMILES: C(=O)(c1c(cccc1)N)Nc1ccccc1OC
• Canonical SMILES: COc1ccccc1NC(=O)c1ccccc1N
• InChI: InChI=1S/C14H14N2O2/c1-18-13-9-5-4-8-12(13)16-14(17)10-6-2-3-7-11(10)15/h2-9H,15H2,1H3,(H,16,17)
• InChIKey: VESKUPCSIUQXPZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-(2-methoxyphenyl)benzamide
• IUPAC Traditional name: 2-amino-N-(2-methoxyphenyl)benzamide
• Synonyms: 2-Amino-N-(2-methoxyphenyl)benzamide; 2-Amino-N-(2-methoxy-phenyl)-benzamide

Database IDs

• CAS Number: 70083-21-5
• MDL Number: MFCD00578806
• PubChem SID: 162037353
• PubChem CID: 790568

CALCULATED PROPERTIES

• Acid pKa: 11.489257
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.7282634
• LogD (pH = 7.4): 2.7284963
• Log P: 2.7285335
• Molar Refractivity: 72.7551 cm^3
• Polarizability: 26.59435 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 104 - 106°C
• Hydrophobicity(logP): 1.828

Safety Information

• Storage Warning: IRRITANT

Product Information

• Purity: 95%