CAS 1134334-58-9

Ethyl 3-[(2-chloroacetyl)amino]-5-fluoro-1H-indole-2-carboxylate

Description:

Ethyl 3-[(2-chloroacetyl)amino]-5-fluoro-1H-indole-2-carboxylate is a synthetic organic compound characterized by its complex structure, which includes an indole ring, a carboxylate group, and a chloroacetylamino substituent. This compound typically exhibits properties associated with indole derivatives, such as potential biological activity, including antimicrobial or anticancer effects, due to the presence of the fluorine atom and the chloroacetyl group, which can enhance reactivity and lipophilicity. The ethyl ester functional group contributes to its solubility in organic solvents and may influence its pharmacokinetic properties. The presence of the fluorine atom often imparts unique electronic characteristics, potentially affecting the compound's interaction with biological targets. As with many indole derivatives, this compound may also exhibit fluorescence, making it useful in various analytical applications. Overall, its specific characteristics, including melting point, solubility, and reactivity, would depend on the precise molecular interactions and the environment in which it is studied.

Formula: C₁₃H₁₂ClFN₂O₃

InChI: InChI=1S/C13H12ClFN2O3/c1-2-20-13(19)12-11(17-10(18)6-14)8-5-7(15)3-4-9(8)16-12/h3-5,16H,2,6H2,1H3,(H,17,18)

InChI key: InChIKey=IFGIXEWFGKASAS-UHFFFAOYSA-N

SMILES: N(C(CCl)=O)C=1C=2C(NC1C(OCC)=O)=CC=C(F)C2

Synonyms:

• 1H-Indole-2-carboxylic acid, 3-[(2-chloroacetyl)amino]-5-fluoro-, ethyl ester
• Ethyl 3-[(2-chloroacetyl)amino]-5-fluoro-1H-indole-2-carboxylate