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CAS 454473-74-6

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3-Chloro-N-[4-(cyanomethyl)phenyl]-2,2-dimethylpropanamide

Description:
3-Chloro-N-[4-(cyanomethyl)phenyl]-2,2-dimethylpropanamide is a synthetic organic compound characterized by its unique molecular structure, which includes a chloro group, a cyanomethyl substituent, and a dimethylpropanamide backbone. This compound features a chloro substituent at the third position of the propanamide, which can influence its reactivity and solubility. The presence of the cyanomethyl group contributes to its potential as a building block in organic synthesis, particularly in the development of pharmaceuticals or agrochemicals. The compound is likely to exhibit moderate polarity due to the amide functional group, which can engage in hydrogen bonding, affecting its solubility in various solvents. Additionally, the presence of the aromatic ring may impart stability and influence the compound's electronic properties. As with many synthetic compounds, safety and handling precautions are essential, as the chloro and cyanide functionalities can pose health risks. Overall, this compound's unique structure suggests potential applications in medicinal chemistry and materials science.
Formula:C13H15ClN2O
InChI:InChI=1S/C13H15ClN2O/c1-13(2,9-14)12(17)16-11-5-3-10(4-6-11)7-8-15/h3-6H,7,9H2,1-2H3,(H,16,17)
InChI key:InChIKey=FUBXZOBRCICZJS-UHFFFAOYSA-N
SMILES:N(C(C(CCl)(C)C)=O)C1=CC=C(CC#N)C=C1
Synonyms:
  • Propanamide, 3-chloro-N-[4-(cyanomethyl)phenyl]-2,2-dimethyl-
  • 3-Chloro-N-[4-(cyanomethyl)phenyl]-2,2-dimethylpropanamide
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