Compound Identification
SMILES
FC1=CC=CC(=C1)C(=O)N1CCN(CC2=CC3=C(OCCCO3)C(Cl)=C2)CC1
InChIKey
InChIKey=NBIPUTQKJSOWAM-UHFFFAOYSA-N
Formula
C21H22ClFN2O3
Mass
404.87
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- 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
Halobenzoic acids and derivatives
Direct Parent
3-halobenzoic acids and derivatives
Alternative Parents
Benzamides Benzoyl derivatives Alkyl aryl ethers Aralkylamines Fluorobenzenes N-alkylpiperazines Aryl chlorides Aryl fluorides Tertiary carboxylic acid amides Amino acids and derivatives Trialkylamines Oxacyclic compounds Azacyclic compounds Organochlorides Organofluorides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-halobenzoic acid or derivatives - Benzamide - Benzoyl - Alkyl aryl ether - Fluorobenzene - Halobenzene - N-alkylpiperazine - Aralkylamine - Piperazine - Aryl chloride - Aryl fluoride - Aryl halide - 1,4-diazinane - Tertiary carboxylic acid amide - Tertiary aliphatic amine - Tertiary amine - Carboxamide group - Amino acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Hydrocarbon derivative - Amine - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-position of the benzene ring.
External Descriptors
Not available