Compound Identification
SMILES
CN(C)CCCN(C)C1=NC(OC(=O)N[C@]23C[C@@H]4C[C@H](C2)C[C@@](C4)(C3)NC(=O)C2=CC(F)=CC=C2)=CC=C1
InChIKey
InChIKey=BPNUITYXDDMNAE-OERYEWLJSA-N
Formula
C29H38FN5O3
Mass
523.653
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
Benzamides Benzoyl derivatives Dialkylarylamines Aminopyridines and derivatives Fluorobenzenes Aryl fluorides Imidolactams Heteroaromatic compounds Carbamate esters Secondary carboxylic acid amides Trialkylamines Azacyclic compounds Hydrocarbon derivatives Organofluorides Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-halobenzoic acid or derivatives - Benzamide - Benzoyl - Dialkylarylamine - Fluorobenzene - Aminopyridine - Halobenzene - Aryl fluoride - Aryl halide - Imidolactam - Pyridine - Heteroaromatic compound - Carbamic acid ester - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Amine - Organohalogen compound - Organofluoride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen 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