Compound Identification
SMILES
O[C@@H]1CCN(C1)C(=O)C1=C(OCC(=O)N2[C@H]3CC[C@@H]2CC(C3)OC2=CC=C(F)C=C2)C=CC(Cl)=C1
InChIKey
InChIKey=SJEOIOXXYXVQCL-DOFBDYGYSA-N
Formula
C26H28ClFN2O5
Mass
502.97
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
3-halobenzoic acids and derivatives
Alternative Parents
Tropane alkaloids Benzamides N-acylpiperidines Benzoyl derivatives N-acylpyrrolidines Phenol ethers Phenoxy compounds Fluorobenzenes Chlorobenzenes Alkyl aryl ethers Aryl chlorides Aryl fluorides Tertiary carboxylic acid amides Secondary alcohols Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-halobenzoic acid or derivatives - N-acyl-piperidine - Tropane alkaloid - Benzamide - N-acylpyrrolidine - Phenol ether - Phenoxy compound - Benzoyl - Halobenzene - Chlorobenzene - Alkyl aryl ether - Fluorobenzene - Piperidine - Aryl chloride - Aryl fluoride - Aryl halide - Tertiary carboxylic acid amide - Pyrrolidine - Carboxamide group - Secondary alcohol - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organochloride - Organohalogen compound - 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