Compound Identification
SMILES
CC1=NC(C)=C(S1)C(=O)N1CCC(CC1)C1=NC(=CS1)C(=O)NNC(=O)C1=CC(F)=CC(F)=C1
InChIKey
InChIKey=SRQXKAOHELVYOK-UHFFFAOYSA-N
Formula
C22H21F2N5O3S2
Mass
505.56
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
N-acylpiperidines Thiazolecarboxamides 2,4,5-trisubstituted thiazoles 2-heteroaryl carboxamides Benzoyl derivatives 2,4-disubstituted thiazoles Fluorobenzenes Aryl fluorides Tertiary carboxylic acid amides Heteroaromatic compounds Carboxylic acid hydrazides Azacyclic compounds Organooxygen compounds Organic oxides Organofluorides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-halobenzoic acid or derivatives - N-acyl-piperidine - 2-heteroaryl carboxamide - 2,4,5-trisubstituted 1,3-thiazole - Thiazolecarboxamide - Benzoyl - Thiazolecarboxylic acid or derivatives - 2,4-disubstituted 1,3-thiazole - Halobenzene - Fluorobenzene - Aryl fluoride - Aryl halide - Piperidine - Heteroaromatic compound - Tertiary carboxylic acid amide - Azole - Thiazole - Carboxamide group - Carboxylic acid hydrazide - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organofluoride - Organohalogen 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