Compound Identification
SMILES
NC(=O)C1=C(Cl)C=CC(Cl)=C1C(=O)NCCN1CCC(CC1)C1=NOC2=C1C=CC(F)=C2
InChIKey
InChIKey=HHHSCEKZPAVLGS-UHFFFAOYSA-N
Formula
C22H21Cl2FN4O3
Mass
479.33
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
3-halobenzoic acids and derivatives
Alternative Parents
2-halobenzoic acids and derivatives Benzamides Benzisoxazoles Benzoyl derivatives Dichlorobenzenes Aralkylamines Piperidines Aryl chlorides Aryl fluorides Isoxazoles Heteroaromatic compounds Vinylogous halides Amino acids and derivatives Primary carboxylic acid amides Secondary carboxylic acid amides Trialkylamines Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzamide - Benzisoxazole - Benzoyl - 1,4-dichlorobenzene - Chlorobenzene - Aralkylamine - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Piperidine - Azole - Heteroaromatic compound - Vinylogous halide - Isoxazole - Tertiary amine - Secondary carboxylic acid amide - Primary carboxylic acid amide - Tertiary aliphatic amine - Amino acid or derivatives - Carboxamide group - Oxacycle - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organooxygen compound - Organic nitrogen compound - Organohalogen compound - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen compound - Organochloride - Organofluoride - Organonitrogen 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