Compound Identification
SMILES
FC1=C(C=CC(OCC2=CN=C(Cl)C=C2)=C1)C(=O)N1CCCC1CN1CCCC1
InChIKey
InChIKey=WNIQYDCRCSIBAY-UHFFFAOYSA-N
Formula
C22H25ClFN3O2
Mass
417.91
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
-
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 Phenoxy compounds Phenol ethers Fluorobenzenes Alkyl aryl ethers 2-halopyridines N-alkylpyrrolidines Aryl chlorides Aryl fluorides Tertiary carboxylic acid amides Heteroaromatic compounds Vinylogous halides Trialkylamines Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-halobenzoic acid or derivatives - Benzamide - Phenoxy compound - N-acylpyrrolidine - Phenol ether - Benzoyl - Alkyl aryl ether - 2-halopyridine - Halobenzene - Fluorobenzene - Aryl chloride - Aryl fluoride - Pyridine - Aryl halide - N-alkylpyrrolidine - Tertiary carboxylic acid amide - Heteroaromatic compound - Vinylogous halide - Pyrrolidine - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organooxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organochloride - 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