Compound Identification
SMILES
FC1=CC(Br)=CC(F)=C1C(=O)N1CCCC1CN1CCCC1
InChIKey
InChIKey=IEXBBZTYXQORBN-UHFFFAOYSA-N
Formula
C16H19BrF2N2O
Mass
373.242
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
4-halobenzoic acids and derivatives
Alternative Parents
2-halobenzoic acids and derivatives Benzamides N-acylpyrrolidines Benzoyl derivatives Fluorobenzenes Bromobenzenes Aryl bromides Aryl fluorides N-alkylpyrrolidines Vinylogous halides Tertiary carboxylic acid amides Trialkylamines Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides Organofluorides Organooxygen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Benzamide - Benzoyl - N-acylpyrrolidine - Bromobenzene - Fluorobenzene - Halobenzene - N-alkylpyrrolidine - Aryl bromide - Aryl fluoride - Aryl halide - Tertiary carboxylic acid amide - Pyrrolidine - Vinylogous halide - Tertiary aliphatic amine - Tertiary amine - Carboxamide group - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organobromide - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.
External Descriptors
Not available