Compound Identification
SMILES
CN(CCO)C(=O)N1CC2=C(NN=C2NC(=O)C2=C(F)C=C(F)C=C2)C1(C)C
InChIKey
InChIKey=BQJNSYDFKCCZNI-UHFFFAOYSA-N
Formula
C18H21F2N5O3
Mass
393.395
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
4-halobenzoic acids and derivatives
Alternative Parents
2-halobenzoic acids and derivatives Benzamides Benzoyl derivatives Pyrrolopyrazoles Fluorobenzenes Aryl fluorides Imidolactams Heteroaromatic compounds Pyrroles Vinylogous halides Pyrazoles Secondary carboxylic acid amides Ureas Alkanolamines Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Benzamide - Benzoyl - Pyrrolopyrazole - Fluorobenzene - Halobenzene - Aryl halide - Aryl fluoride - Imidolactam - Pyrrole - Pyrazole - Heteroaromatic compound - Azole - Vinylogous halide - Urea - Secondary carboxylic acid amide - Carboxamide group - Alkanolamine - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Alcohol - Organohalogen compound - Organofluoride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Primary alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.
External Descriptors
Not available