2-chloro-N-(2,6-dichloro-3-methylphenyl)propanamide

• ChemBase ID: 253842
• Molecular Formular: C10H10Cl3NO
• Molecular Mass: 266.5515
• Monoisotopic Mass: 264.98279699
• SMILES: c1(NC(=O)C(Cl)C)c(c(ccc1Cl)C)Cl
• Canonical SMILES: CC(C(=O)Nc1c(Cl)ccc(c1Cl)C)Cl
• InChI: InChI=1S/C10H10Cl3NO/c1-5-3-4-7(12)9(8(5)13)14-10(15)6(2)11/h3-4,6H,1-2H3,(H,14,15)
• InChIKey: NURIKTZEBIXLAC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-(2,6-dichloro-3-methylphenyl)propanamide
• IUPAC Traditional name: 2-chloro-N-(2,6-dichloro-3-methylphenyl)propanamide
• Synonyms: 2-chloro-N-(2,6-dichloro-3-methylphenyl)propanamide

Database IDs

• MDL Number: MFCD09929125
• PubChem SID: 164309752
• PubChem CID: 24690912

CALCULATED PROPERTIES

• Acid pKa: 11.27984
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.038574
• LogD (pH = 7.4): 4.0385203
• Log P: 4.038575
• Molar Refractivity: 64.8189 cm^3
• Polarizability: 24.505835 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 149 - 151°C
• Hydrophobicity(logP): 2.876

Product Information

• Purity: 95%