Compound Identification
SMILES
CNCC(NC(=O)c1ccc([nH]1)-c1cc(F)c(Cl)c(F)c1)c1ncc(CO)s1
InChIKey
InChIKey=PKJNTOBPRNCUHY-UHFFFAOYSA-N
Formula
C18H17ClF2N4O2S
Mass
426.87
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyrroles
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Subclass
Pyrrole carboxylic acids and derivatives
- Level 5 Pyrrole carboxamides
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Subclass
Pyrrole carboxylic acids and derivatives
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Class
Pyrroles
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrroles
Subclass
Pyrrole carboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Pyrrole carboxamides
Alternative Parents
Fluorobenzenes Chlorobenzenes 2,5-disubstituted thiazoles N-acyl amines Heteroaromatic compounds Amino acids and derivatives Dialkylamines Carboxylic acid amides Azacyclic compounds Organosulfur compounds Organopnictogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Aromatic alcohols
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyrrole-2-carboxamide - Halobenzene - Fluorobenzene - Chlorobenzene - 2,5-disubstituted 1,3-thiazole - Benzenoid - N-acyl-amine - Monocyclic benzene moiety - Heteroaromatic compound - Thiazole - Azole - Carboxamide group - Amino acid or derivatives - Azacycle - Secondary amine - Secondary aliphatic amine - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Amine - Alcohol - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyrrole carboxamides. These are heterocyclic compounds containing a pyrrole ring bearing a carboxamide.
External Descriptors
Not available