Compound Identification
SMILES
FC1=CC(OCC2=CSC=N2)=CC(F)=C1C(=O)N1CCC[C@H]1CN1CCCC1
InChIKey
InChIKey=MCHBDEXSONVGQC-HNNXBMFYSA-N
Formula
C20H23F2N3O2S
Mass
407.48
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
2-halobenzoic acids and derivatives
Alternative Parents
Benzamides Benzoyl derivatives N-acylpyrrolidines Phenol ethers Phenoxy compounds Fluorobenzenes Alkyl aryl ethers Aryl fluorides N-alkylpyrrolidines Heteroaromatic compounds Vinylogous halides Tertiary carboxylic acid amides Thiazoles Amino acids and derivatives Trialkylamines Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-halobenzoic acid or derivatives - Benzamide - Phenoxy compound - N-acylpyrrolidine - Phenol ether - Benzoyl - Alkyl aryl ether - Halobenzene - Fluorobenzene - Aryl fluoride - Aryl halide - N-alkylpyrrolidine - Thiazole - Tertiary carboxylic acid amide - Vinylogous halide - Pyrrolidine - Heteroaromatic compound - Azole - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 2-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 2-position of the benzene ring.
External Descriptors
Not available