Compound Identification
SMILES
COC(=O)C1=C(N=C(C)N=C1C(C)C)C(=O)N1CCN(C(C)C1)C(=O)C1=CC=CC=C1F
InChIKey
InChIKey=PCLCAQASPIQVPH-UHFFFAOYSA-N
Formula
C23H27FN4O4
Mass
442.491
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
Pyrimidinecarboxylic acids Benzamides 2-heteroaryl carboxamides Benzoyl derivatives Fluorobenzenes Aryl fluorides Piperazines Vinylogous halides Tertiary carboxylic acid amides Heteroaromatic compounds Methyl esters Azacyclic compounds Organofluorides Organonitrogen compounds Hydrocarbon derivatives Organooxygen compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-halobenzoic acid or derivatives - Benzamide - Pyrimidine-5-carboxylic acid - Pyrimidine-5-carboxylic acid or derivatives - Pyrimidine-6-carboxylic acid or derivatives - 2-heteroaryl carboxamide - Benzoyl - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - 1,4-diazinane - Piperazine - Pyrimidine - Heteroaromatic compound - Methyl ester - Vinylogous halide - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organic oxygen compound - Organonitrogen compound - 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