Compound Identification
SMILES
CN1C2=NC(NC(=O)CN)=C(Br)C=C2C(=C1C1=CC=C(F)C=C1)C1=CC=NC=C1
InChIKey
InChIKey=SKTMUDNLWBXWID-UHFFFAOYSA-N
Formula
C21H17BrFN5O
Mass
454.303
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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Subclass
Amino acids, peptides, and analogues
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Level 5
Amino acids and derivatives
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Level 6
Alpha amino acids and derivatives
- Level 7 Alpha amino acid amides
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Level 6
Alpha amino acids and derivatives
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Level 5
Amino acids and derivatives
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Subclass
Amino acids, peptides, and analogues
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Class
Carboxylic acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Amino acids, peptides, and analogues
Intermediate Tree Nodes
Amino acids and derivatives - Alpha amino acids and derivatives
Direct Parent
Alpha amino acid amides
Alternative Parents
Phenylpyrroles Pyrrolopyridines N-arylamides Fluorobenzenes N-methylpyrroles Imidolactams Aryl bromides Aryl fluorides Pyridines and derivatives Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organofluorides Organobromides Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid amide - 2-phenylpyrrole - Pyrrolopyridine - N-arylamide - Halobenzene - Fluorobenzene - Aryl bromide - N-methylpyrrole - Monocyclic benzene moiety - Imidolactam - Benzenoid - Substituted pyrrole - Aryl halide - Aryl fluoride - Pyridine - Heteroaromatic compound - Pyrrole - Carboxamide group - Secondary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Organofluoride - Organobromide - Organohalogen compound - Primary amine - Primary aliphatic amine - Amine - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids.
External Descriptors
Not available