2-chloro-N-(2-ethyl-6-methylphenyl)acetamide

• ChemBase ID: 27050
• Molecular Formular: C11H14ClNO
• Molecular Mass: 211.68796
• Monoisotopic Mass: 211.07639175
• SMILES: c1(NC(=O)CCl)c(cccc1CC)C
• Canonical SMILES: ClCC(=O)Nc1c(C)cccc1CC
• InChI: InChI=1S/C11H14ClNO/c1-3-9-6-4-5-8(2)11(9)13-10(14)7-12/h4-6H,3,7H2,1-2H3,(H,13,14)
• InChIKey: SMINYPCTNJDYGK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-(2-ethyl-6-methylphenyl)acetamide
• IUPAC Traditional name: 2-chloro-N-(2-ethyl-6-methylphenyl)acetamide
• Synonyms: 2-Chloro-N-(2-ethyl-6-methylphenyl)acetamide

Database IDs

• CAS Number: 32428-71-0
• MDL Number: MFCD00267498
• PubChem SID: 160990357
• PubChem CID: 670477

CALCULATED PROPERTIES

• Acid pKa: 13.693582
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.2197115
• LogD (pH = 7.4): 3.2197113
• Log P: 3.2197115
• Molar Refractivity: 60.3576 cm^3
• Polarizability: 22.399492 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.781

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%