Compound Identification
SMILES
CCCC1=CN=C(N=C1)N1CCC(CC1)N1C=C(F)C2=C(CC3=C(F)C=C(C=C3)C(=O)N(C)CCCO)N=CN=C12
InChIKey
InChIKey=NHHVGUYQJYTMSV-UHFFFAOYSA-N
Formula
C30H35F2N7O2
Mass
563.654
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
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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
Pyrrolo[2,3-d]pyrimidines Benzamides Benzoyl derivatives Dialkylarylamines Aminopyrimidines and derivatives Fluorobenzenes Substituted pyrroles Aryl fluorides Piperidines Tertiary carboxylic acid amides Heteroaromatic compounds Amino acids and derivatives Azacyclic compounds Alkanolamines Organic oxides Organofluorides Primary alcohols Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-halobenzoic acid or derivatives - Benzamide - Pyrrolo[2,3-d]pyrimidine - Pyrrolopyrimidine - Benzoyl - Dialkylarylamine - Aminopyrimidine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Piperidine - Pyrimidine - Substituted pyrrole - Pyrrole - Tertiary carboxylic acid amide - Heteroaromatic compound - Amino acid or derivatives - Tertiary amine - Carboxamide group - Organoheterocyclic compound - Azacycle - Alkanolamine - Carboxylic acid derivative - Primary alcohol - Hydrocarbon derivative - Organohalogen compound - Organic oxide - Organic oxygen compound - Organofluoride - Alcohol - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Amine - 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