| CAS Number | 349431-99-8 |
| Catalog Number | AG007GPU(AGN-PC-0WB4H4) |
| Chemical Name | N-(4-bromo-2-fluorophenyl)-2-phenylbutanamide |
| IUPAC Name | N-(4-bromo-2-fluorophenyl)-2-phenylbutanamide |
| InChI | InChI=1S/C16H15BrFNO/c1-2-13(11-6-4-3-5-7-11)16(20)19-15-9-8-12(17)10-14(15)18/h3-10,13H,2H2,1H3,(H,19,20) |
| InChI Key | MGKWGLBGFIJQPB-UHFFFAOYSA-N |
| MDL Number | MFCD01359462 |
| Molecular Formula | C16H15BrFNO |
| Molecular Weight | 336.1988 |
| SMILES | CCC(c1ccccc1)C(=O)Nc1ccc(cc1F)Br |
| Synonyms | N-(4-bromo-2-fluorophenyl)-2-phenylbutanamide,
349431-99-8,
CBMicro_046103,
Cambridge id 6124551,
AC1MF056,
CTK4H3313,
DTXSID00387328,
MFCD01359462,
STK416923,
AKOS000187071,
AKOS017074872,
MCULE-9869752603,
BIM-0046295.P001,
ST50920315,
W-8241,
AO-548/12269348,
N- -2-phenylbutanamide,
ZINC00442500,
CID2886930,
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| Complexity | 320 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 335.032g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 336.204g/mol |
| Monoisotopic Mass | 335.032g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number