| CAS Number | 693793-71-4 |
| Catalog Number | AG019ELE |
| Chemical Name | 2-(4-Fluorobenzylidene)-4-Methyl-3-Oxo-N-Phenylpentanamide |
| IUPAC Name | 2-[(4-fluorophenyl)methylidene]-4-methyl-3-oxo-N-phenylpentanamide |
| InChI | InChI=1S/C19H18FNO2/c1-13(2)18(22)17(12-14-8-10-15(20)11-9-14)19(23)21-16-6-4-3-5-7-16/h3-13H,1-2H3,(H,21,23) |
| InChI Key | KBANEMVRSQMCOI-UHFFFAOYSA-N |
| MDL Number | MFCD30472124 |
| Molecular Formula | C19H18FNO2 |
| Molecular Weight | 311.3501 |
| SMILES | CC(C)C(=O)C(=Cc1ccc(F)cc1)C(=O)Nc1ccccc1 |
| Synonyms | 693793-71-4,
2-(4-Fluorobenzylidene)-4-methyl-3-oxo-N-phenylpentanamide,
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| Complexity | 444 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 311.132g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 311.356g/mol |
| Monoisotopic Mass | 311.132g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 4.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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