≥98%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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 | C1CC1OC2=C(C=CC(=C2)C(CC3=CC=CC=C3)(C4=CC(=CC(=C4)F)OC(C(F)F)(F)F)NC(=O)C5=CC(=C(C=C5)F)C(F)(F)F)F |
|---|---|
| IUPAC Name | N-[(1R)-1-(3-cyclopropyloxy-4-fluorophenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide |
| InChIKey | UBJMOTPQBCKENW-WJOKGBTCSA-N |
| INCHI | 1S/C33H23F10NO3/c34-22-13-21(14-24(16-22)47-33(42,43)30(37)38)31(17-18-4-2-1-3-5-18,20-7-11-27(36)28(15-20)46-23-8-9-23)44-29(45)19-6-10-26(35)25(12-19)32(39,40)41/h1-7,10-16,23,30H,8-9,17H2,(H,44,45)/t31-/m1/s1 |
| Isomeric SMILES | C1CC1OC2=C(C=CC(=C2)[C@](CC3=CC=CC=C3)(C4=CC(=CC(=C4)F)OC(C(F)F)(F)F)NC(=O)C5=CC(=C(C=C5)F)C(F)(F)F)F |
| Molecular Weight | 671.52 |
| Reaxy-Rn | 46966653 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=46966653&ln= |
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 | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Benzamides |
| Direct Parent | N-benzylbenzamides |
| Alternative Parents | Stilbenes Diphenylmethanes Trifluoromethylbenzenes 4-halobenzoic acids and derivatives Amphetamines and derivatives Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers Fluorobenzenes Aryl fluorides Secondary carboxylic acid amides Organic oxides Organofluorides Alkyl fluorides Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | N-benzylbenzamide - Stilbene - Diphenylmethane - Amphetamine or derivatives - Trifluoromethylbenzene - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoyl - Phenoxy compound - Phenol ether - Alkyl aryl ether - Halobenzene - Fluorobenzene - Aryl fluoride - Aryl halide - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Ether - Hydrocarbon derivative - Alkyl fluoride - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Alkyl halide - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Aromatic homomonocyclic 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 |
| Solubility | Solvent:DMSO, Max Conc. mg/mL: 67.15, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 67.15, Max Conc. mM: 100 |
|---|---|
| Molecular Weight | 671.500 g/mol |
| XLogP3 | 9.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 11 |
| Exact Mass | 671.152 Da |
| Monoisotopic Mass | 671.152 Da |
| Topological Polar Surface Area | 47.600 Ų |
| Heavy Atom Count | 47 |
| Formal Charge | 0 |
| Complexity | 1040.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
