| CAS Number | 2007907-06-2 |
| Catalog Number | AG01DJSH |
| Chemical Name | (2S)-5-{4-[(2-fluorophenyl)methoxy]phenyl}pyrrolidine-2-carboxamide |
| IUPAC Name | (2S)-5-[4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidine-2-carboxamide |
| InChI | InChI=1S/C18H19FN2O2/c19-15-4-2-1-3-13(15)11-23-14-7-5-12(6-8-14)16-9-10-17(21-16)18(20)22/h1-8,16-17,21H,9-11H2,(H2,20,22)/t16?,17-/m0/s1 |
| InChI Key | JESCETIFNOFKEU-DJNXLDHESA-N |
| MDL Number | MFCD30471775 |
| Molecular Formula | C18H19FN2O2 |
| Molecular Weight | 314.3541 |
| SMILES | NC(=O)[C@@H]1CCC(N1)c1ccc(OCc2ccccc2F)cc1 |
| Synonyms | (2S)-5-(4-((2-Fluorobenzyl)oxy)phenyl)pyrrolidine-2-carboxamide,
2007907-06-2,
SCHEMBL311438,
MFCD30471775,
CS-0047524,
A13020,
934240-30-9,
N/A,
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| Complexity | 399 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 314.143g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 314.36g/mol |
| Monoisotopic Mass | 314.143g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 64.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
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