Compound Identification
SMILES
[Br-].C[N+]1(C)C2CC(CC1[C@@H]1O[C@H]21)OC(=O)C(O)(C1=CC=CS1)C1=CC=CS1.CC1=CC=CC(C(=O)NCC2=CC=C(CNC(=O)C3=C(OC4=CC=C(F)C=C4)N=CC=C3)C=C2)=C1O
InChIKey
InChIKey=XBAXLIHGAPBBSK-YZKLQTQOSA-M
Formula
C47H46BrFN4O8S2
Mass
957.93
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Benzamides
- Level 6 N-benzylbenzamides
-
Level 5
Benzamides
-
Subclass
Benzoic acids and derivatives
-
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
Benzamides
Direct Parent
N-benzylbenzamides
Alternative Parents
Diarylethers Salicylamides m-Toluamides Nicotinamides Benzoyl derivatives Ortho cresols Phenol ethers Phenoxy compounds Fluorobenzenes 1-hydroxy-4-unsubstituted benzenoids Aryl fluorides Morpholines N-alkylpyrrolidines Piperidines Vinylogous acids Tertiary alcohols Heteroaromatic compounds Thiophenes Tetraalkylammonium salts Carboxylic acid esters Secondary carboxylic acid amides Monocarboxylic acids and derivatives Oxacyclic compounds Dialkyl ethers Epoxides Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic bromide salts Organic oxides Organic zwitterions Organofluorides Amines Aromatic alcohols
Molecular Framework
Not available
Substituents
N-benzylbenzamide - Diaryl ether - Salicylamide - Salicylic acid or derivatives - Nicotinamide - M-toluamide - Toluamide - Pyridinecarboxamide - Pyridine carboxylic acid or derivatives - Benzoyl - Phenoxy compound - O-cresol - Phenol ether - 1-hydroxy-4-unsubstituted benzenoid - Fluorobenzene - Halobenzene - Phenol - Toluene - N-alkylpyrrolidine - Oxazinane - Aryl halide - Aryl fluoride - Piperidine - Morpholine - Pyridine - Vinylogous acid - Tetraalkylammonium salt - Thiophene - Quaternary ammonium salt - Pyrrolidine - Heteroaromatic compound - Tertiary alcohol - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Oxacycle - Dialkyl ether - Oxirane - Ether - Monocarboxylic acid or derivatives - Amine - Carbonyl group - Organic nitrogen compound - Alcohol - Organic bromide salt - Organic zwitterion - Organic salt - Aromatic alcohol - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as n-benzylbenzamides. These are compounds containing a benzamide moiety that is N-linked to a benzyl group.
External Descriptors
Not available