CAS 1394041-82-7

2-Chloro-N-[2-methyl-5-(3-methyl-1H-1,2,4-triazol-5-yl)phenyl]acetamide

Description:

2-Chloro-N-[2-methyl-5-(3-methyl-1H-1,2,4-triazol-5-yl)phenyl]acetamide is a chemical compound characterized by its complex structure, which includes a chloro group, an acetamide functional group, and a triazole moiety. This compound is typically classified as an organic molecule and may exhibit properties such as moderate solubility in organic solvents and potential bioactivity due to the presence of the triazole ring, which is often associated with antifungal and antimicrobial properties. The presence of the chloro substituent can influence its reactivity and interaction with biological targets. Additionally, the compound's molecular structure suggests it may participate in hydrogen bonding and other intermolecular interactions, which can affect its physical properties, such as melting point and boiling point. Its specific applications and behavior in biological systems would depend on further studies, including pharmacological assessments and toxicity evaluations. Overall, this compound represents a class of molecules that may have significant implications in medicinal chemistry and drug development.

Formula: C₁₂H₁₃ClN₄O

InChI: InChI=1S/C12H13ClN4O/c1-7-3-4-9(12-14-8(2)16-17-12)5-10(7)15-11(18)6-13/h3-5H,6H2,1-2H3,(H,15,18)(H,14,16,17)

InChI key: InChIKey=XNMYLJYECNIIMV-UHFFFAOYSA-N

SMILES: N(C(CCl)=O)C=1C=C(C=CC1C)C=2NC(C)=NN2

Synonyms:

• Acetamide, 2-chloro-N-[2-methyl-5-(3-methyl-1H-1,2,4-triazol-5-yl)phenyl]-
• 2-Chloro-N-[2-methyl-5-(3-methyl-1H-1,2,4-triazol-5-yl)phenyl]acetamide

2-Chloro-N-[2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide

CAS: 1394041-82-7

Versatile small molecule scaffold

Formula: C₁₂H₁₃ClN₄O

Purity: Min. 95%

Molecular weight: 264.71 g/mol

Ref: 3D-UFC04182