Compound Identification
SMILES
CC(=O)NC1=C(I)C=C(I)C(CC(CC(O)=O)C(O)=O)=C1I
InChIKey
InChIKey=AUEKXOWKYHKVFZ-UHFFFAOYSA-N
Formula
C13H12I3NO5
Mass
642.954
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Anilides
-
Level 5
Acetanilides
-
Level 6
Haloacetanilides
- Level 7 O-haloacetanilides
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Level 6
Haloacetanilides
-
Level 5
Acetanilides
-
Subclass
Anilides
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Anilides
Intermediate Tree Nodes
Acetanilides - Haloacetanilides
Direct Parent
O-haloacetanilides
Alternative Parents
Phenylpropanoic acids P-haloacetanilides N-acetylarylamines Iodobenzenes Dicarboxylic acids and derivatives Aryl iodides Acetamides Secondary carboxylic acid amides Carboxylic acids Organopnictogen compounds Organoiodides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
O-haloacetanilide - P-haloacetanilide - 3-phenylpropanoic-acid - N-acetylarylamine - N-arylamide - Iodobenzene - Halobenzene - Dicarboxylic acid or derivatives - Aryl iodide - Aryl halide - Acetamide - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organoiodide - Organohalogen compound - Carbonyl group - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as o-haloacetanilides. These are organic compounds containing an acetamide group conjugated to a phenyl group, which is in turn ortho-substituted with a halogen atom.
External Descriptors
Not available