Compound Identification
SMILES
CCCN(CC1=NC2=C(C=CC(CNCCN(CC)CC)=C2)N1CCC)C(=O)C1=C(F)C=CC(F)=C1
InChIKey
InChIKey=MZKPSGUXDFVKRY-UHFFFAOYSA-N
Formula
C28H39F2N5O
Mass
499.651
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
2-halobenzoic acids and derivatives Benzamides Benzimidazoles Benzoyl derivatives Aralkylamines Fluorobenzenes Aryl fluorides N-substituted imidazoles Vinylogous halides Tertiary carboxylic acid amides Heteroaromatic compounds Amino acids and derivatives Trialkylamines Dialkylamines Azacyclic compounds Organofluorides Organooxygen compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Benzamide - Benzimidazole - Benzoyl - Halobenzene - Fluorobenzene - Aralkylamine - N-substituted imidazole - Aryl fluoride - Aryl halide - Imidazole - Azole - Heteroaromatic compound - Tertiary carboxylic acid amide - Vinylogous halide - Tertiary amine - Amino acid or derivatives - Tertiary aliphatic amine - Carboxamide group - Azacycle - Organoheterocyclic compound - Secondary amine - Carboxylic acid derivative - Secondary aliphatic amine - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen 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