Compound Identification
SMILES
CC(C)(C)C1CCC2=C(C1)SC(NC(=O)C1=CC=CC=C1F)=C2C(=O)N1CCN(CC2=CC=CC=C2)CC1
InChIKey
InChIKey=XEZMUFODNICXKW-UHFFFAOYSA-N
Formula
C31H36FN3O2S
Mass
533.71
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 Benzoyl derivatives Benzylamines Thiophene carboxamides Phenylmethylamines Aralkylamines Fluorobenzenes N-alkylpiperazines Aryl fluorides Heteroaromatic compounds Vinylogous amides Vinylogous halides Tertiary carboxylic acid amides Amino acids and derivatives Trialkylamines Secondary carboxylic acid amides Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-halobenzoic acid or derivatives - Benzamide - Benzoyl - Benzylamine - Phenylmethylamine - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - Aralkylamine - Halobenzene - N-alkylpiperazine - Fluorobenzene - Aryl fluoride - Aryl halide - Piperazine - 1,4-diazinane - Thiophene - Tertiary carboxylic acid amide - Vinylogous halide - Vinylogous amide - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxygen 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