Compound Identification
SMILES
[O-]C(=O)C(F)(F)F.CC[NH2+]C(C)CC1CN(C1)C(=O)C1=C(F)C=CC(CC2=CNC(=O)C3=CC(Cl)=C(Cl)N23)=C1
InChIKey
InChIKey=VBQDHDUOAVBHNP-UHFFFAOYSA-N
Formula
C25H26Cl2F4N4O4
Mass
593.4
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
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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 Pyrrolopyrazines Benzoyl derivatives Fluorobenzenes Aryl chlorides Aryl fluorides Substituted pyrroles Pyrazines Alpha-halocarboxylic acids Vinylogous halides Tertiary carboxylic acid amides Quaternary ammonium salts Heteroaromatic compounds Amino acids and derivatives Carboxylic acid salts Azetidines Lactams Dialkylamines Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Organochlorides Carbonyl compounds Organofluorides Alkyl fluorides Hydrocarbon derivatives Organic oxides Organic zwitterions
Molecular Framework
Not available
Substituents
2-halobenzoic acid or derivatives - Benzamide - Pyrrolopyrazine - Benzoyl - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Pyrazine - Substituted pyrrole - Alpha-halocarboxylic acid - Tertiary carboxylic acid amide - Quaternary ammonium salt - Heteroaromatic compound - Pyrrole - Alpha-halocarboxylic acid or derivatives - Vinylogous halide - Carboxylic acid salt - Carboxamide group - Azetidine - Lactam - Amino acid or derivatives - Secondary aliphatic amine - Carboxylic acid - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Carboxylic acid derivative - Secondary amine - Azacycle - Amine - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Alkyl halide - Alkyl fluoride - Organochloride - Organofluoride - Organonitrogen compound - Organic zwitterion - Organooxygen 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