Compound Identification
SMILES
CC(CC1C[C@@H](N([C@@H](C)C2=CC=C(Br)C=C2)C(=O)O1)C1=CC=C(F)C=C1)C#N
InChIKey
InChIKey=XGUXHXZHTDIZPX-SAYDWMHPSA-N
Formula
C22H22BrFN2O2
Mass
445.332
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
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
Bromobenzenes Aryl fluorides Aryl bromides 1,3-oxazinanes Carbamate esters Oxacyclic compounds Nitriles Azacyclic compounds Organofluorides Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Bromobenzene - Fluorobenzene - 1,3-oxazinane - Aryl bromide - Aryl fluoride - Aryl halide - Oxazinane - Carbamic acid ester - Oxacycle - Azacycle - Organoheterocyclic compound - Carbonitrile - Nitrile - Organic nitrogen compound - Organobromide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - 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