2-amino-N-(2,4-dimethoxyphenyl)benzamide

• ChemBase ID: 231869
• Molecular Formular: C15H16N2O3
• Molecular Mass: 272.29914
• Monoisotopic Mass: 272.11609238
• SMILES: C(=O)(c1c(N)cccc1)Nc1c(cc(cc1)OC)OC
• Canonical SMILES: COc1cc(OC)ccc1NC(=O)c1ccccc1N
• InChI: InChI=1S/C15H16N2O3/c1-19-10-7-8-13(14(9-10)20-2)17-15(18)11-5-3-4-6-12(11)16/h3-9H,16H2,1-2H3,(H,17,18)
• InChIKey: ZLSQRQNCHSXYMW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-(2,4-dimethoxyphenyl)benzamide
• IUPAC Traditional name: 2-amino-N-(2,4-dimethoxyphenyl)benzamide
• Synonyms: 2-Amino-N-(2,4-dimethoxy-phenyl)-benzamide

Database IDs

• CAS Number: 93988-27-3
• MDL Number: MFCD03166480
• PubChem SID: 164287779
• PubChem CID: 902679

CALCULATED PROPERTIES

• Acid pKa: 11.311214
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.57065
• LogD (pH = 7.4): 2.570809
• Log P: 2.570862
• Molar Refractivity: 79.2183 cm^3
• Polarizability: 29.114836 Å^3
• Polar Surface Area: 73.58 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 154 - 156°C
• Hydrophobicity(logP): 1.853

Product Information

• Purity: 95%