Compound Identification
SMILES
Cl.CC1=CN=C(S1)N1CCC(C)=C(C1)C1=CN=C(NC(=O)C2=C(C)C(F)=CC=C2)C=N1
InChIKey
InChIKey=HIPDPELHUAMLAG-UHFFFAOYSA-N
Formula
C22H23ClFN5OS
Mass
459.97
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
3-halobenzoic acids and derivatives
Alternative Parents
o-Toluamides Benzamides Dialkylarylamines Benzoyl derivatives 2,5-disubstituted thiazoles Fluorobenzenes Pyrazines 2-amino-1,3-thiazoles Imidolactams Hydropyridines Aryl fluorides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Hydrochlorides Organic oxides Organofluorides Organooxygen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-halobenzoic acid or derivatives - O-toluamide - Toluamide - Benzamide - Dialkylarylamine - Benzoyl - Halobenzene - Toluene - 2,5-disubstituted 1,3-thiazole - Fluorobenzene - Aryl fluoride - Imidolactam - Pyrazine - Hydropyridine - Aryl halide - 1,3-thiazol-2-amine - Thiazole - Azole - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Tertiary amine - Secondary carboxylic acid amide - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Amine - Hydrochloride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-position of the benzene ring.
External Descriptors
Not available