≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | C1CCN(CC1)C(=O)C(=C(C2=CC=CC=C2Br)Cl)NC(=O)C3=CC=CC=C3 |
|---|---|
| IUPAC Name | N-[(Z)-1-(2-bromophenyl)-1-chloro-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide |
| InChIKey | NDXLGXNRLZWHSZ-HNENSFHCSA-N |
| INCHI | 1S/C21H20BrClN2O2/c22-17-12-6-5-11-16(17)18(23)19(21(27)25-13-7-2-8-14-25)24-20(26)15-9-3-1-4-10-15/h1,3-6,9-12H,2,7-8,13-14H2,(H,24,26)/b19-18- |
| Isómeros SMILES | C1CCN(CC1)C(=O)/C(=C(\C2=CC=CC=C2Br)/Cl)/NC(=O)C3=CC=CC=C3 |
| PubChem CID | 91933742 |
| Peso molecular | 447.8 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Benzamides |
| Direct Parent | Hippuric acids and derivatives |
| Alternative Parents | N-acyl-alpha amino acids and derivatives Alpha amino acid amides Cinnamic acids and derivatives N-acylpiperidines Benzoyl derivatives Bromobenzenes Aryl bromides Tertiary carboxylic acid amides Vinylogous halides Secondary carboxylic acid amides Chloroalkenes Vinyl chlorides Azacyclic compounds Organobromides Organic oxides Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds Organochlorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Cinnamic acid or derivatives - Alpha-amino acid or derivatives - N-acyl-piperidine - Benzoyl - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Piperidine - Vinylogous halide - Tertiary carboxylic acid amide - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Chloroalkene - Carboxylic acid derivative - Haloalkene - Organoheterocyclic compound - Vinyl halide - Vinyl chloride - Organic oxide - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organohalogen compound - Organobromide - Organochloride - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as hippuric acids and derivatives. These are compounds containing a hippuric acid or a derivative, with a structure characterized the presence of a benzoyl group linked to the N-terminal of a glycine. |
| External Descriptors | Not available |
| Peso molecular | 447.800 g/mol |
|---|---|
| XLogP3 | 4.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 446.04 Da |
| Monoisotopic Mass | 446.04 Da |
| Topological Polar Surface Area | 49.400 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 569.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
