≥98% 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 | CC1(CC1(C2=CC=C(C=C2)F)C(=O)NCCCN3C=CN=C3)C |
|---|---|
| IUPAC Name | 1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-2,2-dimethylcyclopropane-1-carboxamide |
| InChIKey | MBTXJGAIMKPLBE-UHFFFAOYSA-N |
| INCHI | 1S/C18H22FN3O/c1-17(2)12-18(17,14-4-6-15(19)7-5-14)16(23)21-8-3-10-22-11-9-20-13-22/h4-7,9,11,13H,3,8,10,12H2,1-2H3,(H,21,23) |
| Isomeric SMILES | CC1(CC1(C2=CC=C(C=C2)F)C(=O)NCCCN3C=CN=C3)C |
| PubChem CID | 72845833 |
| Molecular Weight | 315.39 |
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 | Phenylacetamides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylacetamides |
| Alternative Parents | Fluorobenzenes N-substituted imidazoles Cyclopropanecarboxylic acids and derivatives Aryl fluorides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenylacetamide - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Cyclopropanecarboxylic acid or derivatives - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylacetamides. These are amide derivatives of phenylacetic acids. |
| External Descriptors | Not available |
| Molecular Weight | 315.400 g/mol |
|---|---|
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 6 |
| Exact Mass | 315.175 Da |
| Monoisotopic Mass | 315.175 Da |
| Topological Polar Surface Area | 46.900 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 434.000 |
| 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 |
