Compound Identification
SMILES
ClC1=C(Cl)C=C(C=C1)C(=O)N[C@H]1CCN(CCC2=CC(Br)=C(O[C@@H]3CCNC3)C=C2)C1
InChIKey
InChIKey=QGPQBNKZRCKMTF-ZWKOTPCHSA-N
Formula
C23H26BrCl2N3O2
Mass
527.28
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 Bromobenzenes Aryl bromides Aryl chlorides N-alkylpyrrolidines Secondary carboxylic acid amides Trialkylamines Amino acids and derivatives Azacyclic compounds Dialkylamines Organic oxides Organobromides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Phenethylamine - Benzamide - Phenoxy compound - Phenol ether - Benzoyl - 1,2-dichlorobenzene - Alkyl aryl ether - Halobenzene - Aralkylamine - Bromobenzene - Chlorobenzene - Aryl bromide - N-alkylpyrrolidine - Aryl halide - Aryl chloride - Pyrrolidine - Amino acid or derivatives - Tertiary aliphatic amine - Carboxamide group - Tertiary amine - Secondary carboxylic acid amide - Secondary amine - Ether - Azacycle - Secondary aliphatic amine - Organoheterocyclic compound - Carboxylic acid derivative - Organooxygen compound - Organic nitrogen compound - Amine - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organobromide - Organochloride - Organonitrogen 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