2-amino-N-(4-chloro-2-methoxy-5-methylphenyl)benzamide

• ChemBase ID: 232106
• Molecular Formular: C15H15ClN2O2
• Molecular Mass: 290.7448
• Monoisotopic Mass: 290.08220541
• SMILES: C(=O)(c1c(N)cccc1)Nc1c(cc(c(c1)C)Cl)OC
• Canonical SMILES: COc1cc(Cl)c(cc1NC(=O)c1ccccc1N)C
• InChI: InChI=1S/C15H15ClN2O2/c1-9-7-13(14(20-2)8-11(9)16)18-15(19)10-5-3-4-6-12(10)17/h3-8H,17H2,1-2H3,(H,18,19)
• InChIKey: CFKXOPDSFSPDQQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-(4-chloro-2-methoxy-5-methylphenyl)benzamide
• IUPAC Traditional name: 2-amino-N-(4-chloro-2-methoxy-5-methylphenyl)benzamide
• Synonyms: 2-Amino-N-(4-chloro-2-methoxy-5-methyl-phenyl)-benzamide

Database IDs

• MDL Number: MFCD04606710
• PubChem SID: 164288016
• PubChem CID: 2435426

CALCULATED PROPERTIES

• Acid pKa: 11.377595
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.845806
• LogD (pH = 7.4): 3.8459537
• Log P: 3.8459995
• Molar Refractivity: 82.6011 cm^3
• Polarizability: 30.232277 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.238

Product Information

• Purity: 95%