Compound Identification
SMILES
FC1=CC=CC=C1C(=O)NC1=C(C(=O)NCC2CCCO2)C2=C(CCCC2)S1
InChIKey
InChIKey=BVQQEFHMRLSSHZ-UHFFFAOYSA-N
Formula
C21H23FN2O3S
Mass
402.48
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
2-halobenzoic acids and derivatives
Alternative Parents
Benzamides Thiophene carboxamides Benzoyl derivatives Fluorobenzenes Aryl fluorides Vinylogous halides Vinylogous amides Oxolanes Heteroaromatic compounds Secondary carboxylic acid amides Dialkyl ethers Oxacyclic compounds Organic oxides Hydrocarbon derivatives Organofluorides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-halobenzoic acid or derivatives - Benzamide - Benzoyl - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Heteroaromatic compound - Oxolane - Thiophene - Vinylogous amide - Vinylogous halide - Secondary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 2-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 2-position of the benzene ring.
External Descriptors
Not available