Compound Identification
SMILES
ClC1=C(Cl)C=C(C=C1)C(=O)N[C@H]1CCN(CCC2=CC(Cl)=C(O[C@@H]3CCNC3)C=C2)C1
InChIKey
InChIKey=CTZCHXJEGOZPSW-ZWKOTPCHSA-N
Formula
C23H26Cl3N3O2
Mass
482.83
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Halobenzoic acids and derivatives
Direct Parent
4-halobenzoic acids and derivatives
Alternative Parents
3-halobenzoic acids and derivatives Phenethylamines Benzamides Phenoxy compounds Phenol ethers Benzoyl derivatives Dichlorobenzenes Alkyl aryl ethers Aralkylamines Aryl chlorides N-alkylpyrrolidines Secondary carboxylic acid amides Trialkylamines Amino acids and derivatives Azacyclic compounds Dialkylamines Organic oxides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Phenethylamine - Benzamide - 1,2-dichlorobenzene - Benzoyl - Phenoxy compound - Phenol ether - Chlorobenzene - Aralkylamine - Halobenzene - Alkyl aryl ether - Aryl chloride - Aryl halide - N-alkylpyrrolidine - Pyrrolidine - Tertiary aliphatic amine - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Tertiary amine - Azacycle - Organoheterocyclic compound - Secondary amine - Carboxylic acid derivative - Secondary aliphatic amine - Ether - Organic oxygen compound - Amine - Organic nitrogen compound - Organooxygen compound - Organic oxide - Organonitrogen compound - Hydrocarbon derivative - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.
External Descriptors
Not available