Compound Identification
SMILES
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1CNC(=O)C1=CC=C(F)C=C1
InChIKey
InChIKey=VJPOPUJUQWIHGC-QEJZJMRPSA-N
Formula
C18H23FN2O3
Mass
334.391
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
Piperidinecarboxylic acids Benzamides Pyrrolidine carboxylic acids Benzoyl derivatives Fluorobenzenes Aryl fluorides Carbamate esters Tertiary amines Secondary carboxylic acid amides Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-halobenzoic acid or derivatives - Benzamide - Piperidinecarboxylic acid - Benzoyl - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine carboxylic acid - Halobenzene - Fluorobenzene - Aryl fluoride - Aryl halide - Piperidine - Carbamic acid ester - Pyrrolidine - Amino acid or derivatives - Carboxamide group - Tertiary amine - Secondary carboxylic acid amide - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Amine - Organohalogen compound - Organofluoride - Organonitrogen compound - Carbonyl group - Organooxygen compound - 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