Compound Identification
SMILES
CC(=O)NC1=C(C=C(Br)C=C1)C1=NC2=CC=CC=C2N=C1OCC1=CC=C(C=C1)C(C)(C)C
InChIKey
InChIKey=OFYBBABHYJUORX-UHFFFAOYSA-N
Formula
C27H26BrN3O2
Mass
504.428
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Anilides
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Level 5
Acetanilides
-
Level 6
Haloacetanilides
- Level 7 P-haloacetanilides
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Level 6
Haloacetanilides
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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
P-haloacetanilides
Alternative Parents
Quinoxalines Phenylpropanes N-acetylarylamines Bromobenzenes Alkyl aryl ethers Pyrazines Aryl bromides Heteroaromatic compounds Acetamides Secondary carboxylic acid amides Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
P-haloacetanilide - Quinoxaline - N-acetylarylamine - Phenylpropane - N-arylamide - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Pyrazine - Heteroaromatic compound - Acetamide - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Ether - Organoheterocyclic compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as p-haloacetanilides. These are organic compounds containing an acetamide group conjugated to a phenyl group, which is in turn para-substituted with a halogen atom.
External Descriptors
Not available