Compound Identification
SMILES
NC(=O)NCCNC(=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=GSNUSPHJBAKEBT-UFRUDQCGSA-N
Formula
C25H28ClFN4O5
Mass
518.97
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
Benzamides Tropane alkaloids N-acylpiperidines Benzoyl derivatives N-acylpyrrolidines Phenol ethers Phenoxy compounds Fluorobenzenes Chlorobenzenes Alkyl aryl ethers Aryl chlorides Aryl fluorides Tertiary carboxylic acid amides Ureas Secondary carboxylic acid amides Azacyclic compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-halobenzoic acid or derivatives - Benzamide - Tropane alkaloid - N-acyl-piperidine - Phenoxy compound - Benzoyl - N-acylpyrrolidine - Phenol ether - Alkyl aryl ether - Halobenzene - Fluorobenzene - Chlorobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Piperidine - Tertiary carboxylic acid amide - Pyrrolidine - Secondary carboxylic acid amide - Urea - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organofluoride - 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