Compound Identification
SMILES
CC1(C)CC(=O)C([C@@H](N)C2=C(Cl)C=C(F)C=C2)=C(C1)NC(=C)C1=NC=CN=C1
InChIKey
InChIKey=QLJWHVBOBSWNNK-FQEVSTJZSA-N
Formula
C21H22ClFN4O
Mass
400.88
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Halobenzenes
- Level 5 Fluorobenzenes
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Subclass
Halobenzenes
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Halobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Fluorobenzenes
Alternative Parents
Aralkylamines Chlorobenzenes Cyclohexenones Pyrazines Aryl chlorides Aryl fluorides Vinylogous amides Heteroaromatic compounds Enamines Dialkylamines Azacyclic compounds Monoalkylamines Organic oxides Organochlorides Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cyclohexenone - Chlorobenzene - Fluorobenzene - Aralkylamine - Aryl chloride - Aryl fluoride - Aryl halide - Pyrazine - Heteroaromatic compound - Vinylogous amide - Ketone - Cyclic ketone - Secondary aliphatic amine - Enamine - Azacycle - Organoheterocyclic compound - Secondary amine - Organochloride - Organohalogen compound - Primary aliphatic amine - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Carbonyl group - Organofluoride - Organonitrogen compound - Organooxygen compound - Primary amine - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring.
External Descriptors
Not available