2-chloro-N-(5-methoxy-2-methylphenyl)acetamide

• ChemBase ID: 15193
• Molecular Formular: C10H12ClNO2
• Molecular Mass: 213.66078
• Monoisotopic Mass: 213.05565631
• SMILES: c1(c(ccc(c1)OC)C)NC(=O)CCl
• Canonical SMILES: Cc1ccc(cc1NC(=O)CCl)OC
• InChI: InChI=1S/C10H12ClNO2/c1-7-3-4-8(14-2)5-9(7)12-10(13)6-11/h3-5H,6H2,1-2H3,(H,12,13)
• InChIKey: QMMPZLROQHKLDA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-(5-methoxy-2-methylphenyl)acetamide
• IUPAC Traditional name: 2-chloro-N-(5-methoxy-2-methylphenyl)acetamide
• Synonyms: 2-Chloro-N-(5-methoxy-2-methyl-phenyl)-acetamide

Database IDs

• MDL Number: MFCD04069692
• PubChem SID: 160978500
• PubChem CID: 1132889

CALCULATED PROPERTIES

• Acid pKa: 13.21137
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.1040502
• LogD (pH = 7.4): 2.1040494
• Log P: 2.1040502
• Molar Refractivity: 57.1786 cm^3
• Polarizability: 21.341236 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false