Compound Identification
SMILES
CN(CC(CCN1CCC2(CN(C(C)=O)C3=C2C=C(F)C=C3)CC1)C1=CC(Cl)=C(Cl)C=C1)C(=O)C1=CC(C)=C(F)C(C)=C1
InChIKey
InChIKey=OTCCQCSZMWKFPZ-UHFFFAOYSA-N
Formula
C34H37Cl2F2N3O2
Mass
628.59
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
Indoles and derivatives Benzamides m-Xylenes Dichlorobenzenes Benzoyl derivatives Aralkylamines Fluorobenzenes Piperidines Aryl chlorides Aryl fluorides Tertiary carboxylic acid amides Acetamides Trialkylamines Amino acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-halobenzoic acid or derivatives - Indole or derivatives - Benzamide - 1,2-dichlorobenzene - M-xylene - Xylene - Benzoyl - Halobenzene - Fluorobenzene - Chlorobenzene - Aralkylamine - Aryl fluoride - Aryl halide - Piperidine - Aryl chloride - Tertiary carboxylic acid amide - Acetamide - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organohalogen compound - Organochloride - Organofluoride - Aromatic heteropolycyclic 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