Compound Identification
SMILES
CONC(=O)C1=C(NC2=NC=NN3C=C(C(=O)NCCN(C)C)C(C(C)C)=C23)C(F)=CC=C1
InChIKey
InChIKey=XGIYBYPNHIKRSI-UHFFFAOYSA-N
Formula
C22H28FN7O3
Mass
457.51
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
Pyrrolo[2,1-f][1,2,4]triazines Aniline and substituted anilines Benzoyl derivatives Pyrrole carboxamides Fluorobenzenes 1,2,4-triazines Aryl fluorides Substituted pyrroles Imidolactams Heteroaromatic compounds Vinylogous amides Amino acids and derivatives Trialkylamines Secondary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-halobenzoic acid or derivatives - Pyrrolo[2,1-f][1,2,4]triazine - Pyrrolotriazine - Benzoyl - Pyrrole-3-carboxamide - Pyrrole-3-carboxylic acid or derivatives - Aniline or substituted anilines - Fluorobenzene - Halobenzene - 1,2,4-triazine - Imidolactam - Triazine - Aryl fluoride - Aryl halide - Substituted pyrrole - Vinylogous amide - Heteroaromatic compound - Pyrrole - Tertiary aliphatic amine - Tertiary amine - Carboxamide group - Amino acid or derivatives - Secondary carboxylic acid amide - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Organic nitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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