Compound Identification
SMILES
CCOC(=O)N1C[C@@H]2CC[C@H](C1)C2NCCNC(=O)C1=CC(F)=CC(F)=C1
InChIKey
InChIKey=OFEVSBUPYRINBN-MPYYAJLASA-N
Formula
C19H25F2N3O3
Mass
381.424
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
Piperidinecarboxylic acids Benzamides Benzoyl derivatives Fluorobenzenes Azepanes Aminopiperidines Aryl fluorides Carbamate esters Secondary carboxylic acid amides Dialkylamines Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-halobenzoic acid or derivatives - Benzamide - Piperidinecarboxylic acid - Benzoyl - 4-aminopiperidine - Azepane - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Piperidine - Carbamic acid ester - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Secondary amine - Secondary aliphatic amine - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organohalogen compound - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - 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