N-(5-amino-2-methoxyphenyl)-2-(2-chlorophenoxy)acetamide

• ChemBase ID: 22846
• Molecular Formular: C15H15ClN2O3
• Molecular Mass: 306.7442
• Monoisotopic Mass: 306.07712003
• SMILES: c1(NC(=O)COc2c(Cl)cccc2)cc(N)ccc1OC
• Canonical SMILES: COc1ccc(cc1NC(=O)COc1ccccc1Cl)N
• InChI: InChI=1S/C15H15ClN2O3/c1-20-14-7-6-10(17)8-12(14)18-15(19)9-21-13-5-3-2-4-11(13)16/h2-8H,9,17H2,1H3,(H,18,19)
• InChIKey: MBLQUEILFJPSDA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09997178
• PubChem SID: 160986153
• PubChem CID: 28306413

CALCULATED PROPERTIES

• Acid pKa: 11.565959
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.3103306
• LogD (pH = 7.4): 2.3448205
• Log P: 2.345307
• Molar Refractivity: 82.8515 cm^3
• Polarizability: 31.049755 Å^3
• Polar Surface Area: 73.58 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false