1.0 2016-06-03 10:35:42 UTC 2026-08-20 06:06:35 UTC Benzamide, N-(4-methyl-3-nitrophenyl)-4-[(4-methyl-1-piperazinyl)methyl]- SmallMolecule Benzamide, N-(4-methyl-3-nitrophenyl)-4-[(4-methyl-1-piperazinyl)methyl]- is an organic compound with the chemical formula C20H24N4O3 and an average molecular weight of 368.44 g/mol. Benzamide, N-(4-methyl-3-nitrophenyl)-4-[(4-methyl-1-piperazinyl)methyl]- belongs to the anilides, a subclass of benzene and substituted derivatives within the organic compounds. This substance has been identified in or released from 19 recorded sources across multiple sectors. In drinking water and water supply, it is found in tap water, bottled water, desalinated water, and drinking water. Within aquatic systems and sediments, it appears in freshwater, seawater, surface water, and groundwater. It is also present in wastewater, sanitation, and biosolids, including unspecified wastewater, wastewater treatment effluent, mine wastewater, and industrial wastewater. Additionally, the compound is associated with appliances, HVAC, and refrigerants, specifically water heaters and water coolers, as well as marine, shipping, and aquaculture sources such as bilge water and ballast water. In the sector of agriculture and land management, it is found in irrigation water, with two other sectors also recording its presence. Recorded exposure routes for this compound include oral, inhalation, and touch. PMT C20H24N4O3 368.437 368.184840649 N-(4-methyl-3-nitrophenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide N-(4-methyl-3-nitrophenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide 581076-60-0 CN1CCN(CC2=CC=C(C=C2)C(=O)NC2=CC(=C(C)C=C2)N(=O)=O)CC1 InChI=1S/C20H24N4O3/c1-15-3-8-18(13-19(15)24(26)27)21-20(25)17-6-4-16(5-7-17)14-23-11-9-22(2)10-12-23/h3-8,13H,9-12,14H2,1-2H3,(H,21,25) GHWOXPOJAZVXAK-UHFFFAOYSA-N Organic compounds Benzenoids Benzene and substituted derivatives Anilides Benzanilides Amino acids and derivatives Aralkylamines Azacyclic compounds Benzamides Benzoyl derivatives Benzylamines Hydrocarbon derivatives N-methylpiperazines Nitroaromatic compounds Nitrobenzenes Nitrotoluenes Organic oxides Organic oxoazanium compounds Organic zwitterions Organooxygen compounds Organopnictogen compounds Phenylmethylamines Propargyl-type 1,3-dipolar organic compounds Secondary carboxylic acid amides Trialkylamines 1,4-diazinane Allyl-type 1,3-dipolar organic compound Amine Amino acid or derivatives Aralkylamine Aromatic heteromonocyclic compound Azacycle Benzamide Benzanilide Benzoic acid or derivatives Benzoyl Benzylamine C-nitro compound Carboxamide group Carboxylic acid derivative Hydrocarbon derivative N-alkylpiperazine N-methylpiperazine Nitroaromatic compound Nitrobenzene Nitrotoluene Organic 1,3-dipolar compound Organic nitro compound Organic nitrogen compound Organic oxide Organic oxoazanium Organic oxygen compound Organic zwitterion Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenylmethylamine Piperazine Propargyl-type 1,3-dipolar organic compound Secondary carboxylic acid amide Tertiary aliphatic amine Tertiary amine Toluene Aromatic heteromonocyclic compounds Detected and Not Quantified logp 2.6 logp 2.83 ALOGPS logs -3.71 ALOGPS solubility 7.15e-02 g/l ALOGPS logp 3.31 ChemAxon pka_strongest_acidic 12.6 ChemAxon pka_strongest_basic 7.84 ChemAxon iupac N-(4-methyl-3-nitrophenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide ChemAxon average_mass 368.437 ChemAxon mono_mass 368.184840649 ChemAxon smiles CN1CCN(CC2=CC=C(C=C2)C(=O)NC2=CC(=C(C)C=C2)N(=O)=O)CC1 ChemAxon formula C20H24N4O3 ChemAxon inchi InChI=1S/C20H24N4O3/c1-15-3-8-18(13-19(15)24(26)27)21-20(25)17-6-4-16(5-7-17)14-23-11-9-22(2)10-12-23/h3-8,13H,9-12,14H2,1-2H3,(H,21,25) ChemAxon inchikey GHWOXPOJAZVXAK-UHFFFAOYSA-N ChemAxon polar_surface_area 81.4 ChemAxon refractivity 108.55 ChemAxon polarizability 40.59 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 5 ChemAxon donor_count 1 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f721fc99bc0> 29984087 21896823