Compound Identification
SMILES
CC(=O)N(C1=CC=CC=C1F)C1(CCN(CCN2C=CC=N2)CC1)C1=NN=C(C)O1
InChIKey
InChIKey=PQHFZFIHVPGUJE-UHFFFAOYSA-N
Formula
C21H25FN6O2
Mass
412.469
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Anilides
-
Level 5
Acetanilides
-
Level 6
Haloacetanilides
- Level 7 O-haloacetanilides
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Level 6
Haloacetanilides
-
Level 5
Acetanilides
-
Subclass
Anilides
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Anilides
Intermediate Tree Nodes
Acetanilides - Haloacetanilides
Direct Parent
O-haloacetanilides
Alternative Parents
Aralkylamines Fluorobenzenes Aryl fluorides Piperidines 1,3,4-oxadiazoles Acetamides Tertiary carboxylic acid amides Pyrazoles Heteroaromatic compounds Trialkylamines Amino acids and derivatives Azacyclic compounds Oxacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
O-haloacetanilide - Fluorobenzene - Halobenzene - Aralkylamine - Aryl fluoride - Aryl halide - Piperidine - 1,3,4-oxadiazole - Azole - Oxadiazole - Heteroaromatic compound - Pyrazole - Tertiary carboxylic acid amide - Acetamide - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Carboxamide group - Azacycle - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxide - Amine - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as o-haloacetanilides. These are organic compounds containing an acetamide group conjugated to a phenyl group, which is in turn ortho-substituted with a halogen atom.
External Descriptors
Not available