Compound Identification
SMILES
FC1=C(NC(=O)CCNC(=O)C2=CC=CC=C2Cl)C=CC(Br)=C1
InChIKey
InChIKey=YLNSGSHZEYDOKC-UHFFFAOYSA-N
Formula
C16H13BrClFN2O2
Mass
399.64
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
Level 5
Amino acids and derivatives
- Level 6 Beta amino acids and derivatives
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Level 5
Amino acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
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
Direct Parent
Beta amino acids and derivatives
Alternative Parents
2-halobenzoic acids and derivatives Anilides Benzamides Benzoyl derivatives N-arylamides Bromobenzenes Chlorobenzenes Fluorobenzenes Aryl bromides Aryl chlorides Aryl fluorides Vinylogous halides Secondary carboxylic acid amides Organobromides Organochlorides Organofluorides Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Beta amino acid or derivatives - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Anilide - Benzoyl - N-arylamide - Bromobenzene - Chlorobenzene - Halobenzene - Fluorobenzene - Benzenoid - Aryl bromide - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Vinylogous halide - Secondary carboxylic acid amide - Carboxamide group - Carbonyl group - Organobromide - Organic oxide - Organic oxygen compound - Organochloride - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organohalogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.
External Descriptors
Not available