Compound Identification
SMILES
COCCN(CC(=O)NC1=CC(=NN1C1=CC=CC=C1Cl)C(C)(C)C)C(=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F
InChIKey
InChIKey=MQBFOFLRIQLOSR-UHFFFAOYSA-N
Formula
C27H27ClF6N4O3
Mass
604.98
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
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Level 5
Benzamides
- Level 6 Hippuric acids and derivatives
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Level 5
Benzamides
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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
Phenylpyrazoles Trifluoromethylbenzenes Alpha amino acids and derivatives N-arylamides Benzoyl derivatives Chlorobenzenes Aryl chlorides Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Dialkyl ethers Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hippuric acid or derivatives - Phenylpyrazole - Alpha-amino acid or derivatives - Trifluoromethylbenzene - N-arylamide - Benzoyl - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Azole - Heteroaromatic compound - Tertiary carboxylic acid amide - Pyrazole - Secondary carboxylic acid amide - Carboxamide group - Ether - Dialkyl ether - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Alkyl fluoride - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - 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