2-chloro-N-(2,6-dichlorophenyl)-N-phenylacetamide

• ChemBase ID: 294258
• Molecular Formular: C14H10Cl3NO
• Molecular Mass: 314.5943
• Monoisotopic Mass: 312.98279699
• SMILES: ClCC(=O)N(c1ccccc1)c1c(Cl)cccc1Cl
• Canonical SMILES: ClCC(=O)N(c1c(Cl)cccc1Cl)c1ccccc1
• InChI: InChI=1S/C14H10Cl3NO/c15-9-13(19)18(10-5-2-1-3-6-10)14-11(16)7-4-8-12(14)17/h1-8H,9H2
• InChIKey: BPEUHDIEZQWRGC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-(2,6-dichlorophenyl)-N-phenylacetamide
• IUPAC Traditional name: 2-chloro-N-(2,6-dichlorophenyl)-N-phenylacetamide
• Synonyms: 2-Chloro-N-(2,6-dichlorophenyl)-N-phenylacetamide

Database IDs

• CAS Number: 15308-01-7
• PubChem SID: 180679789
• PubChem CID: 84868

CALCULATED PROPERTIES

• Acid pKa: 15.421283
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.478414
• LogD (pH = 7.4): 4.478414
• Log P: 4.478414
• Molar Refractivity: 78.1773 cm^3
• Polarizability: 30.415403 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%