Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™ Moligand™ 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.
| Canonical Smiles | C=CC(=O)Nc1cccc(c1)Nc1ncc(cn1)NC(=O)c1cc(ccc1C)NC(=O)c1cccc(c1)C(F)(F)F |
|---|---|
| IUPAC Name | 2-methyl-N-(2-{[3-(prop-2-enamido)phenyl]amino}pyrimidin-5-yl)-5-[3-(trifluoromethyl)benzamido]benzamide |
| InChIKey | BTWVWABAWDKQNJ-UHFFFAOYSA-N |
| INCHI | 1S/C29H23F3N6O3/c1-3-25(39)35-20-8-5-9-21(13-20)38-28-33-15-23(16-34-28)37-27(41)24-14-22(11-10-17(24)2)36-26(40)18-6-4-7-19(12-18)29(30,31)32/h3-16H,1H2,2H3,(H,35,39)(H,36,40)(H,37,41)(H,33,34,38) |
| Isomeric SMILES | CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(F)(F)F)C(=O)NC3=CN=C(N=C3)NC4=CC(=CC=C4)NC(=O)C=C |
| PubChem CID | 71519693 |
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 |
| Class | Benzene and substituted derivatives |
| Subclass | Anilides |
| Intermediate Tree Nodes | Aromatic anilides |
| Direct Parent | Benzanilides |
| Alternative Parents | Trifluoromethylbenzenes o-Toluamides Benzamides N-arylamides Aniline and substituted anilines Benzoyl derivatives Aminopyrimidines and derivatives Acrylic acids and derivatives Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Amines Alkyl fluorides Organofluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzanilide - Trifluoromethylbenzene - Benzamide - Benzoic acid or derivatives - O-toluamide - Toluamide - N-arylamide - Aniline or substituted anilines - Benzoyl - Toluene - Aminopyrimidine - Pyrimidine - Acrylic acid or derivatives - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Alkyl fluoride - Organofluoride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Alkyl halide - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene. |
| External Descriptors | Not available |
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