Compound Identification
SMILES
CNC1=NC(NC2=C(Cl)C=C(C(=O)N3CCOCC3)C(C)=C2)=NC=C1C(F)(F)F
InChIKey
InChIKey=CGELVESSCKWNHU-UHFFFAOYSA-N
Formula
C18H19ClF3N5O2
Mass
429.83
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
o-Toluamides Benzamides Morpholine carboxylic acids and derivatives Aniline and substituted anilines Benzoyl derivatives Aminopyrimidines and derivatives Chlorobenzenes Aryl chlorides Imidolactams Tertiary carboxylic acid amides Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Dialkyl ethers Amines Organochlorides Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-halobenzoic acid or derivatives - Morpholine-4-carboxylic acid or derivatives - Benzamide - O-toluamide - Toluamide - Aniline or substituted anilines - Benzoyl - Aminopyrimidine - Chlorobenzene - Toluene - Halobenzene - Morpholine - Imidolactam - Aryl chloride - Pyrimidine - Oxazinane - Aryl halide - Tertiary carboxylic acid amide - Heteroaromatic compound - Carboxamide group - Oxacycle - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Dialkyl ether - Ether - Organic nitrogen compound - Amine - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organochloride - Aromatic heteromonocyclic 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