Compound Identification
SMILES
CN1CCN(CC2=C(F)C=C(C=C2)C(Cl)=O)CC1
InChIKey
InChIKey=NKJZXFZEXCRYGB-UHFFFAOYSA-N
Formula
C13H16ClFN2O
Mass
270.73
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
Phenylmethylamines Benzylamines Benzoyl derivatives N-methylpiperazines Fluorobenzenes Aralkylamines Aryl fluorides Trialkylamines Azacyclic compounds Acyl chlorides Organooxygen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-halobenzoic acid or derivatives - Benzoyl - Benzylamine - Phenylmethylamine - Fluorobenzene - Halobenzene - N-methylpiperazine - N-alkylpiperazine - Aralkylamine - Aryl fluoride - Piperazine - Aryl halide - 1,4-diazinane - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organoheterocyclic compound - Acyl chloride - Acyl halide - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Amine - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Aromatic heteromonocyclic 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