Compound Identification
SMILES
CC1=NC(C(=O)N2C[C@@H]3C[C@@H]3[C@@H]2CNC(=O)C2=CC(Br)=CC=C2)=C(S1)C1=CC(F)=CC=C1
InChIKey
InChIKey=OMZKDPLDVOQZEY-VDGAXYAQSA-N
Formula
C24H21BrFN3O2S
Mass
514.41
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
Benzamides N-acylpiperidines Thiazolecarboxamides Benzoyl derivatives N-acylpyrrolidines 2-heteroaryl carboxamides 2,4,5-trisubstituted thiazoles Bromobenzenes Fluorobenzenes Aryl bromides Aryl fluorides Tertiary carboxylic acid amides Heteroaromatic compounds Amino acids and derivatives Secondary carboxylic acid amides Tertiary amines Azacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides Organofluorides Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-halobenzoic acid or derivatives - Benzamide - N-acyl-piperidine - 2,4,5-trisubstituted 1,3-thiazole - 2-heteroaryl carboxamide - Benzoyl - N-acylpyrrolidine - Thiazolecarboxamide - Thiazolecarboxylic acid or derivatives - Bromobenzene - Fluorobenzene - Halobenzene - Aryl halide - Aryl fluoride - Aryl bromide - Piperidine - Heteroaromatic compound - Thiazole - Azole - Tertiary carboxylic acid amide - Pyrrolidine - Amino acid or derivatives - Carboxamide group - Tertiary amine - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organooxygen compound - Amine - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organobromide - Organofluoride - Organic nitrogen compound - Organohalogen compound - Aromatic heteropolycyclic 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