Compound Identification
SMILES
COCCN(CC(=O)N1CN(C(=O)C1)C1=CC=C(F)C=C1)C(=O)C1=CC(Cl)=C(Cl)C=C1
InChIKey
InChIKey=AIFHWVXYHIXCKN-UHFFFAOYSA-N
Formula
C21H20Cl2FN3O4
Mass
468.31
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Benzamides
- Level 6 Hippuric acids and derivatives
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Level 5
Benzamides
-
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
Benzamides
Direct Parent
Hippuric acids and derivatives
Alternative Parents
Phenylimidazolidines 3-halobenzoic acids and derivatives 4-halobenzoic acids and derivatives Alpha amino acids and derivatives Dichlorobenzenes Benzoyl derivatives Fluorobenzenes Aryl chlorides Imidazolidinones Aryl fluorides Tertiary carboxylic acid amides Lactams Azacyclic compounds Dialkyl ethers Organonitrogen compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hippuric acid or derivatives - Phenylimidazolidine - Alpha-amino acid or derivatives - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Benzoyl - 1,2-dichlorobenzene - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Imidazolidinone - Tertiary carboxylic acid amide - Imidazolidine - Lactam - Carboxamide group - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Dialkyl ether - Organohalogen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organochloride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as hippuric acids and derivatives. These are compounds containing a hippuric acid or a derivative, with a structure characterized the presence of a benzoyl group linked to the N-terminal of a glycine.
External Descriptors
Not available