Compound Identification
SMILES
O[C@H]1CC[C@@H](CC1)NC(=O)c1n[nH]cc1NC(=O)c1c(F)cccc1F
InChIKey
InChIKey=IZIPWCFRXVNDNX-MGCOHNPYSA-N
Formula
C17H18F2N4O3
Mass
364.353
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
2-halobenzoic acids and derivatives
Alternative Parents
Benzamides Pyrazole-5-carboxamides 2-heteroaryl carboxamides Benzoyl derivatives Fluorobenzenes Cyclohexanols Aryl fluorides Vinylogous halides Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Cyclic alcohols and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-halobenzoic acid or derivatives - Benzamide - 2-heteroaryl carboxamide - Pyrazole-5-carboxamide - Benzoyl - Halobenzene - Fluorobenzene - Cyclohexanol - Aryl fluoride - Aryl halide - Azole - Heteroaromatic compound - Pyrazole - Vinylogous amide - Vinylogous halide - Cyclic alcohol - Carboxamide group - Secondary alcohol - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 2-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 2-position of the benzene ring.
External Descriptors
Not available