Identification Common Name Benzamide, 3,3'-[(2,5-dimethyl-1,4-phenylene)bis[imino(1-acetyl-2-oxo-2,1-ethanediyl)azo]]bis[4-chloro-N-(5-chloro-2-methylphenyl)- Class Small Molecule Description Benzamide, 3,3'-[(2,5-dimethyl-1,4-phenylene)bis[imino(1-acetyl-2-oxo-2,1-ethanediyl)azo]]bis[4-chloro-N-(5-chloro-2-methylphenyl)- belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. With an average molecular weight of 916.64 g/mol, Benzamide, 3,3'-[(2,5-dimethyl-1,4-phenylene)bis[imino(1-acetyl-2-oxo-2,1-ethanediyl)azo]]bis[4-chloro-N-(5-chloro-2-methylphenyl)- is a heavy molecule. It has the chemical formula C44H38Cl4N8O6.
This compound is used as an industrial pigment. It has been recorded in drinking water and water supply sources, with oral exposure being the recorded route of exposure. Contaminant Sources HPV EPA Chemicals
STOFF IDENT Compounds Contaminant Type Not Available Chemical Structure Synonyms Value Source 4-Chloro-N-(5-chloro-2-methylphenyl)-3-{2-[1-({4-[2-(2-{2-chloro-5-[(5-chloro-2-methylphenyl)-C-hydroxycarbonimidoyl]phenyl}diazen-1-yl)-3-oxobutanamido]-2,5-dimethylphenyl}carbamoyl)-2-oxopropyl]diazen-1-yl}benzene-1-carboximidate Generator
Chemical Formula C44 H38 Cl4 N8 O6 Average Molecular Mass 916.640 g/mol Monoisotopic Mass 914.167 g/mol CAS Registry Number 5280-80-8 IUPAC Name 4-chloro-3-[[1-[4-[[2-[[2-chloro-5-[(5-chloro-2-methylphenyl)carbamoyl]phenyl]diazenyl]-3-oxobutanoyl]amino]-2,5-dimethylanilino]-1,3-dioxobutan-2-yl]diazenyl]-N-(5-chloro-2-methylphenyl)benzamide Traditional Name 4-chloro-N-(5-chloro-2-methylphenyl)-3-{2-[1-({4-[2-(2-{2-chloro-5-[(5-chloro-2-methylphenyl)-C-hydroxycarbonimidoyl]phenyl}diazen-1-yl)-3-oxobutanamido]-2,5-dimethylphenyl}carbamoyl)-2-oxopropyl]diazen-1-yl}benzenecarboximidic acid SMILES CC(=O)C(N=NC1=C(Cl)C=CC(=C1)C(O)=NC1=C(C)C=CC(Cl)=C1)C(=O)NC1=CC(C)=C(NC(=O)C(N=NC2=C(Cl)C=CC(=C2)C(O)=NC2=C(C)C=CC(Cl)=C2)C(C)=O)C=C1C InChI Identifier InChI=1S/C44H38Cl4N8O6/c1-21-7-11-29(45)19-35(21)49-41(59)27-9-13-31(47)37(17-27)53-55-39(25(5)57)43(61)51-33-15-24(4)34(16-23(33)3)52-44(62)40(26(6)58)56-54-38-18-28(10-14-32(38)48)42(60)50-36-20-30(46)12-8-22(36)2/h7-20,39-40H,1-6H3,(H,49,59)(H,50,60)(H,51,61)(H,52,62) InChI Key MLIPLRICHBJSFY-UHFFFAOYSA-N Chemical Taxonomy Description belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids. Kingdom Organic compounds Super Class Organic acids and derivatives Class Carboxylic acids and derivatives Sub Class Amino acids, peptides, and analogues Direct Parent Alpha amino acid amides Alternative Parents Substituents Alpha-amino acid amide
Anilide
N-arylamide
Xylene
P-xylene
Halobenzene
Toluene
Chlorobenzene
Fatty acyl
Fatty amide
Benzenoid
1,3-dicarbonyl compound
Aryl chloride
Aryl halide
Monocyclic benzene moiety
Carboxamide group
Ketone
Secondary carboxylic acid amide
Azo compound
Carboximidic acid
Carboximidic acid derivative
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Organopnictogen compound
Organic oxygen compound
Organic nitrogen compound
Carbonyl group
Hydrocarbon derivative
Organic oxide
Organooxygen compound
Organonitrogen compound
Organochloride
Organohalogen compound
Aromatic homomonocyclic compound Molecular Framework Aromatic homomonocyclic compounds External Descriptors Not Available 
