CAS 1076199-98-8

1,3-Diethyl 2-[(6-chloro-1H-indol-3-yl)methyl]-2-(formylamino)propanedioate

Description:

1,3-Diethyl 2-[(6-chloro-1H-indol-3-yl)methyl]-2-(formylamino)propanedioate is a complex organic compound characterized by its unique structural features, which include an indole moiety, a formylamino group, and diethyl ester functionalities. The presence of the 6-chloro substitution on the indole ring contributes to its potential biological activity, possibly influencing its interaction with various biological targets. The compound is likely to exhibit moderate to high lipophilicity due to the ethyl groups and the indole structure, which may affect its solubility in organic solvents. Additionally, the formylamino group suggests potential reactivity, making it a candidate for further chemical modifications or applications in medicinal chemistry. Its molecular structure indicates that it may participate in hydrogen bonding, influencing its physical properties such as melting point and boiling point. Overall, this compound's unique combination of functional groups positions it as a potentially interesting molecule for research in pharmaceuticals or agrochemicals.

Formula: C₁₇H₁₉ClN₂O₅

InChI: InChI=1S/C17H19ClN2O5/c1-3-24-15(22)17(20-10-21,16(23)25-4-2)8-11-9-19-14-7-12(18)5-6-13(11)14/h5-7,9-10,19H,3-4,8H2,1-2H3,(H,20,21)

InChI key: InChIKey=KGQWIQFSZAFPHS-UHFFFAOYSA-N

SMILES: C(CC=1C=2C(NC1)=CC(Cl)=CC2)(C(OCC)=O)(C(OCC)=O)NC=O

Synonyms:

• 1,3-Diethyl 2-[(6-chloro-1H-indol-3-yl)methyl]-2-(formylamino)propanedioate
• Propanedioic acid, 2-[(6-chloro-1H-indol-3-yl)methyl]-2-(formylamino)-, 1,3-diethyl ester