N-(5-amino-2-methoxyphenyl)-2-methoxybenzamide

• ChemBase ID: 22848
• Molecular Formular: C15H16N2O3
• Molecular Mass: 272.29914
• Monoisotopic Mass: 272.11609238
• SMILES: C(=O)(c1c(OC)cccc1)Nc1cc(N)ccc1OC
• Canonical SMILES: COc1ccc(cc1NC(=O)c1ccccc1OC)N
• InChI: InChI=1S/C15H16N2O3/c1-19-13-6-4-3-5-11(13)15(18)17-12-9-10(16)7-8-14(12)20-2/h3-9H,16H2,1-2H3,(H,17,18)
• InChIKey: RISVRBYNFQNFHG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(5-amino-2-methoxyphenyl)-2-methoxybenzamide
• IUPAC Traditional name: N-(5-amino-2-methoxyphenyl)-2-methoxybenzamide
• Synonyms: N-(5-Amino-2-methoxyphenyl)-2-methoxybenzamide

Database IDs

• MDL Number: MFCD09043393
• PubChem SID: 160986155
• PubChem CID: 16771090

CALCULATED PROPERTIES

• Acid pKa: 11.637026
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.8721086
• LogD (pH = 7.4): 1.9201853
• Log P: 1.9208621
• Molar Refractivity: 79.2183 cm^3
• Polarizability: 29.115292 Å^3
• Polar Surface Area: 73.58 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false