2-chloro-N-(3-chloro-2,6-diethylphenyl)acetamide

• ChemBase ID: 252404
• Molecular Formular: C12H15Cl2NO
• Molecular Mass: 260.1596
• Monoisotopic Mass: 259.05306947
• SMILES: c1(c(c(ccc1CC)Cl)CC)NC(=O)CCl
• Canonical SMILES: ClCC(=O)Nc1c(CC)ccc(c1CC)Cl
• InChI: InChI=1S/C12H15Cl2NO/c1-3-8-5-6-10(14)9(4-2)12(8)15-11(16)7-13/h5-6H,3-4,7H2,1-2H3,(H,15,16)
• InChIKey: ZEHVGJXELAOHNY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-(3-chloro-2,6-diethylphenyl)acetamide
• IUPAC Traditional name: 2-chloro-N-(3-chloro-2,6-diethylphenyl)acetamide
• Synonyms: 2-chloro-N-(3-chloro-2,6-diethylphenyl)acetamide

Database IDs

• MDL Number: MFCD07364274
• PubChem SID: 164308314
• PubChem CID: 16227202

CALCULATED PROPERTIES

• Acid pKa: 13.35205
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.268325
• LogD (pH = 7.4): 4.2683244
• Log P: 4.268325
• Molar Refractivity: 69.7634 cm^3
• Polarizability: 26.13031 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.061

Product Information

• Purity: 95%