Two metal complexes [Mn(BZA)4Cl2] and [Cu2(BZA)2(CH3COO)4] (BZA - benzamide) have been synthesized and structurally characterized by element analysis, FT-IR, X-ray crystallography and Hirshfeld surface analysis. In silico (molecular docking) studies attest that biologically inactive compound BZA gains antimicrobial activity in result of metal complex formation. Antifungal activities of the metal complexes are higher than that of well-known compound fluconazole while antibacterial activities are comparable with biological action of standard drug levofloxacin. In vitro researches of antifungal activities confirm the results of the molecular docking studies whereas antibacterial activity of metal complexes is slightly higher than that of levofloxacin in silico activity. Moreover, in vivo determination of the metal complexes acute toxicity attests that LD50 of the initial compound (BZA ligand) is lowered more than two times in the metal complex, i.e. bioactivity and toxicity of BZA are enhanced through metal complex formation.