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We have synthesized aniline based amides (<b>3a</b>&#8722;<b>h</b>) via palladium catalyzed Suzuki cross coupling of <i>N</i>-(2,5-dibromophenyl) acetamide with different arylboronic acids in moderate to good yields. A variety of functional groups were well tolerated in reaction conditions. For exploring the possible applications as optoelectronic devices, the nonlinear optical (NLO) properties of all synthesized derivatives (<b>3a</b>&#8722;<b>h</b>) were investigated with the help of density functional theory (DFT) methods. The frontier molecular orbitals analysis and reactivity descriptors were investigated for exploring the reactivities.