Compound Identification
SMILES
CCCC1=NC(=NC(C(=O)N2CCN(C(C)C2)C(=O)C2=CC(F)=CC=C2)=C1C(=O)OCC)C1=CC=CC=C1
InChIKey
InChIKey=YXFOVCPTKXLQMI-UHFFFAOYSA-N
Formula
C29H31FN4O4
Mass
518.589
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
3-halobenzoic acids and derivatives
Alternative Parents
Pyrimidinecarboxylic acids Benzamides 2-heteroaryl carboxamides Benzoyl derivatives Fluorobenzenes Piperazines Aryl fluorides Tertiary carboxylic acid amides Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds Organooxygen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-halobenzoic acid or derivatives - Benzamide - Pyrimidine-6-carboxylic acid or derivatives - Pyrimidine-5-carboxylic acid or derivatives - Pyrimidine-5-carboxylic acid - 2-heteroaryl carboxamide - Benzoyl - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - 1,4-diazinane - Pyrimidine - Piperazine - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organohalogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organofluoride - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-position of the benzene ring.
External Descriptors
Not available