Compound Identification
SMILES
FC1=CC=CC=C1\C=C\C(=O)N1CCCN(CC2=CC=C(Cl)C=C2)CC1
InChIKey
InChIKey=LTKIOPBFHPDDRW-DHZHZOJOSA-N
Formula
C21H22ClFN2O
Mass
372.87
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Cinnamic acids and derivatives
Alternative Parents
Styrenes Phenylmethylamines Benzylamines 1,4-diazepanes Aralkylamines Chlorobenzenes Fluorobenzenes Aryl chlorides Aryl fluorides Tertiary carboxylic acid amides Amino acids and derivatives Trialkylamines Azacyclic compounds Organochlorides Carbonyl compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid or derivatives - Benzylamine - Styrene - Phenylmethylamine - 1,4-diazepane - Aralkylamine - Chlorobenzene - Diazepane - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Tertiary amine - Tertiary aliphatic amine - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organofluoride - Organic nitrogen compound - Organooxygen compound - Carbonyl group - Organonitrogen compound - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organochloride - Amine - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as cinnamic acids and derivatives. These are organic aromatic compounds containing a benzene and a carboxylic acid group (or a derivative thereof) forming 3-phenylprop-2-enoic acid.
External Descriptors
Not available