Compound Identification
SMILES
CCCC12C[NH+]3CC(C[NH+](C1)CC3)=C2NNC(=O)C1=CC=C(F)C=C1
InChIKey
InChIKey=WSHKXRGPZYKEJU-UHFFFAOYSA-P
Formula
C19H27FN4O
Mass
346.449
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
Benzoyl derivatives Fluorobenzenes 1,4-diazepanes Aryl fluorides Quaternary ammonium salts Trialkylamines Carboxylic acid hydrazides Amino acids and derivatives Azacyclic compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-halobenzoic acid or derivatives - Benzoyl - 1,4-diazepane - Diazepane - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Quaternary ammonium salt - Amino acid or derivatives - Carboxylic acid hydrazide - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organofluoride - Organohalogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic cation - Aromatic heteropolycyclic 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