Compound Identification
SMILES
FC1=CC(F)=C(C=C1)C(=O)NC1=NN=C(NCCCN2CCCC2=O)S1
InChIKey
InChIKey=ADQINYMZHREKPH-UHFFFAOYSA-N
Formula
C16H17F2N5O2S
Mass
381.4
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
2-halobenzoic acids and derivatives Benzamides Benzoyl derivatives Secondary alkylarylamines 2-amino-5-substituted-1,3,4-thiadiazoles Fluorobenzenes Pyrrolidine-2-ones N-alkylpyrrolidines Aryl fluorides Vinylogous halides Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Lactams Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzamide - Benzoyl - Fluorobenzene - Halobenzene - 2-amino-5-substituted-1,3,4-thiadiazole - Secondary aliphatic/aromatic amine - 2-amino-1,3,4-thiadiazole - Aryl fluoride - Aryl halide - Pyrrolidone - 2-pyrrolidone - N-alkylpyrrolidine - Azole - Heteroaromatic compound - Pyrrolidine - Vinylogous halide - Thiadiazole - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Lactam - Secondary amine - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organopnictogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Amine - Organic nitrogen compound - Organonitrogen compound - Organic oxygen compound - Organofluoride - Organohalogen compound - Aromatic heteromonocyclic 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