Abstract
A series of new 2-(2-aryl amino) phenyl acetamide derivatives were synthesized and their chemical structures were identified using spectroscopic techniques (UV-VIS, FTIR, 1HNMR, and MS). Computational studies have been carried out for prediction reactivity and density function theory (DFT) calculations for the acetamide derivatives, as well as the spatial electron distribution of the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) were computed. The docking study against prostaglandin synthetase-2 (COX-II coenzyme) was computed, and four compounds (D, F, H, and L) gave high scores (Kcal/mol). Some of these synthetic compounds were evaluated for their biological activities in vitro (antimicrobial, antioxidant, anticancer, and anti-inflammatory). Finally, the compounds B, D, F, and K have a good correlation between theoretical and experimental studies as cyclooxygenase inhibitors and weak to moderate antimicrobial, antioxidant, and cancer activities.