Compound Identification
SMILES
CCN1C(CCNC(=O)C2=CC=CC=C2F)=NN=C1SCC(=O)NC1=CC=CC=C1OC
InChIKey
InChIKey=ITSZYBMYWAUAKC-UHFFFAOYSA-N
Formula
C22H24FN5O3S
Mass
457.52
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 Anilides Methoxyanilines Benzoyl derivatives Anisoles Methoxybenzenes N-arylamides Phenoxy compounds Fluorobenzenes Alkylarylthioethers Alkyl aryl ethers Aryl fluorides Vinylogous halides Triazoles Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-halobenzoic acid or derivatives - Benzamide - Anilide - Methoxyaniline - Phenol ether - Benzoyl - N-arylamide - Phenoxy compound - Aryl thioether - Anisole - Methoxybenzene - Alkylarylthioether - Alkyl aryl ether - Halobenzene - Fluorobenzene - Aryl halide - Aryl fluoride - 1,2,4-triazole - Vinylogous halide - Azole - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Carboxylic acid derivative - Thioether - Ether - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organofluoride - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Aromatic heteromonocyclic 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