Compound Identification
SMILES
CC1(C)N(CC2=C1NN=C2NC(=O)C1=CC=C(F)C=C1)C(=O)C1CCN(CC1)C1CC1
InChIKey
InChIKey=VBWXQPUACHCVRW-UHFFFAOYSA-N
Formula
C23H28FN5O2
Mass
425.508
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
Benzamides Piperidinecarboxamides Benzoyl derivatives Pyrrolopyrazoles Fluorobenzenes Aryl fluorides Imidolactams Heteroaromatic compounds Tertiary carboxylic acid amides Pyrroles Pyrazoles Amino acids and derivatives Secondary carboxylic acid amides Trialkylamines Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-halobenzoic acid or derivatives - Benzamide - Piperidinecarboxamide - Benzoyl - Pyrrolopyrazole - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Imidolactam - Piperidine - Azole - Heteroaromatic compound - Tertiary carboxylic acid amide - Pyrrole - Pyrazole - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organohalogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - 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