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

• ChemBase ID: 252377
• Molecular Formular: C11H14ClNO
• Molecular Mass: 211.68796
• Monoisotopic Mass: 211.07639175
• SMILES: N(c1c(C)cccc1)(C(=O)CCl)CC
• Canonical SMILES: CCN(c1ccccc1C)C(=O)CCl
• InChI: InChI=1S/C11H14ClNO/c1-3-13(11(14)8-12)10-7-5-4-6-9(10)2/h4-7H,3,8H2,1-2H3
• InChIKey: CMVONEMFKQDVPO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD00085745
• PubChem SID: 164308287
• PubChem CID: 296028

CALCULATED PROPERTIES

• Acid pKa: 16.790318
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.4825954
• LogD (pH = 7.4): 2.4825954
• Log P: 2.4825954
• Molar Refractivity: 58.5799 cm^3
• Polarizability: 22.474976 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.348

Product Information

• Purity: 95%