N-(2-amino-4-chlorophenyl)-2-methoxyacetamide

• ChemBase ID: 308198
• Molecular Formular: C9H11ClN2O2
• Molecular Mass: 214.64884
• Monoisotopic Mass: 214.05090528
• SMILES: N(c1c(cc(cc1)Cl)N)C(=O)COC
• Canonical SMILES: COCC(=O)Nc1ccc(cc1N)Cl
• InChI: InChI=1S/C9H11ClN2O2/c1-14-5-9(13)12-8-3-2-6(10)4-7(8)11/h2-4H,5,11H2,1H3,(H,12,13)
• InChIKey: QSRMHPFRNGCOEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-amino-4-chlorophenyl)-2-methoxyacetamide
• IUPAC Traditional name: N-(2-amino-4-chlorophenyl)-2-methoxyacetamide
• Synonyms: N-(2-amino-4-chlorophenyl)-2-methoxyacetamide

Database IDs

• MDL Number: MFCD09050347

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.8115283
• LogD (pH = 7.4): 0.8119464
• Log P: 0.81195337
• Molar Refractivity: 56.8796 cm^3
• Polarizability: 20.80283 Å^3
• Polar Surface Area: 64.35 Å^2