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 | OC(CN1CCC(=CC1)c1ccc(cc1)F)COc1ccc(cc1)C(=O)N |
|---|---|
| IUPAC Name | 4-{3-[4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin-1-yl]-2-hydroxypropoxy}benzamide |
| InChIKey | HFHFPCVDUCBNLG-UHFFFAOYSA-N |
| INCHI | 1S/C21H23FN2O3/c22-18-5-1-15(2-6-18)16-9-11-24(12-10-16)13-19(25)14-27-20-7-3-17(4-8-20)21(23)26/h1-9,19,25H,10-14H2,(H2,23,26) |
| Isomeric SMILES | C1CN(CC=C1C2=CC=C(C=C2)F)CC(COC3=CC=C(C=C3)C(=O)N)O |
| PubChem CID | 9799515 |
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 | Not available |
| Direct Parent | Benzamides |
| Alternative Parents | Benzoyl derivatives Phenoxy compounds Phenol ethers Alkyl aryl ethers Fluorobenzenes Aryl fluorides Hydropyridines Trialkylamines Primary carboxylic acid amides Secondary alcohols 1,2-aminoalcohols Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzamide - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Hydropyridine - 1,2-aminoalcohol - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Primary carboxylic acid amide - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Azacycle - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Alcohol - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring. |
| External Descriptors | Not available |
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| Molecular Weight | 370.400 g/mol |
|---|---|
| XLogP3 | 2.200 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 7 |
| Exact Mass | 370.169 Da |
| Monoisotopic Mass | 370.169 Da |
| Topological Polar Surface Area | 75.800 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 512.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
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