2-chloro-N-(2,4-dimethylphenyl)-2-phenylacetamide

• ChemBase ID: 72438
• Molecular Formular: C16H16ClNO
• Molecular Mass: 273.75734
• Monoisotopic Mass: 273.09204182
• SMILES: C(=O)(Nc1c(cc(cc1)C)C)C(c1ccccc1)Cl
• Canonical SMILES: O=C(C(c1ccccc1)Cl)Nc1ccc(cc1C)C
• InChI: InChI=1S/C16H16ClNO/c1-11-8-9-14(12(2)10-11)18-16(19)15(17)13-6-4-3-5-7-13/h3-10,15H,1-2H3,(H,18,19)
• InChIKey: MEYUVFBRTDPBRA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-(2,4-dimethylphenyl)-2-phenylacetamide
• IUPAC Traditional name: 2-chloro-N-(2,4-dimethylphenyl)-2-phenylacetamide
• Synonyms: 2-Chloro-N-(2,4-dimethylphenyl)-2-phenylacetamide

Database IDs

• PubChem SID: 162104321
• PubChem CID: 43212456

CALCULATED PROPERTIES

• Acid pKa: 13.570996
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.711572
• LogD (pH = 7.4): 4.7115717
• Log P: 4.711572
• Molar Refractivity: 80.1145 cm^3
• Polarizability: 30.146051 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT