No matter the large contribution of chemistry to the development in our large of dwelling, the negative and threatening photo of chemistry has been unfolded in human society due to adverse damage, consisting of large explosions in chemical factories in some instances. therefore, chemistry must development with the introduction of a at ease global in harmony with nature. high performance based on environmentally benign principles (green chemistry) is strongly required of synthetic natural chemistry in twenty first century. That’s why Emphasis here is placed on green synthesis of substituted benzamides and their solvent free conversion into substituted benzamidines interacting with transition-metals including their biological activities. Our primary objective is to create a greener reaction methodology that affords access to convert amide bond into N-substituted benzamidines and their metal complexes. For this first amide bond, has been synthesized through novel Dicobalt octacarbonyl catalyzed amidation of phenyl iodide, followed by anti-oxidant, anti- alzheimer, anti- urease and anti- fatigue activity. The capacity of these reactions through screening of different substrate and investigations into the mechanisms by way of which the reactions are working are also mentioned. The novel synthetic model of the amidine bond has been polished using CuO-np catalyzed conversion of substituted benzamide into N-substituted benzamidines. This methodology uses a non-expensive CuO Nano particles and aniline/ammonia along with substituted benzamide as the key ligand in this strategy. Moreover, efforts to find best reaction conditions to access N-substituted benzamidines ligands were accomplished. A brief study on behavior of N-substituted benzamidines against cancer cell lines (in vivo) and DNA binding studies by UV-visible spectrophotometer and Viscosity measurements has also been carried out. A detail work on transition metal (Cu, Pt, Pd) complexation of amidine ligands covering their activities against cancer cell lines (in vitro), DNA binding studies by UV visible spectroscopy and viscosity measurement covers the major area of thesis. The discussion about behavior of world fatal disease HIV-1 (candidiasis & reverse transcriptase) are also the part of thesis.