| CAS Number | 432509-06-3 |
| Catalog Number | AG00J3TX(AGN-PC-0WB4O6) |
| Chemical Name | N-(3-Iodophenyl)-2-(4-isopropylphenoxy)acetamide |
| IUPAC Name | N-(3-iodophenyl)-2-(4-propan-2-ylphenoxy)acetamide |
| InChI | InChI=1S/C17H18INO2/c1-12(2)13-6-8-16(9-7-13)21-11-17(20)19-15-5-3-4-14(18)10-15/h3-10,12H,11H2,1-2H3,(H,19,20) |
| InChI Key | IGPXZKGUXUJAEL-UHFFFAOYSA-N |
| MDL Number | MFCD03143793 |
| Molecular Formula | C17H18INO2 |
| Molecular Weight | 395.2348 |
| SMILES | O=C(Nc1cccc(c1)I)COc1ccc(cc1)C(C)C |
| Synonyms | 432509-06-3,
N-(3-IODOPHENYL)-2-(4-ISOPROPYLPHENOXY)ACETAMIDE,
STK076847,
CHEMBRDG-BB 6808850,
AC1LPQR8,
Oprea1_338329,
CTK4I7211,
DTXSID80361702,
ZINC1138140,
MFCD03143793,
AKOS003337468,
MCULE-5333343741,
AJ-25067,
Y-0124,
N-(3-iodophenyl)-2-(4-propan-2-ylphenoxy)acetamide,
N-(3-iodophenyl)-2-[4-(propan-2-yl)phenoxy]acetamide,
CHEMBRDG-BB6808850,
ZINC01138140,
CID1311530,
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| Complexity | 327 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 395.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 395.24g/mol |
| Monoisotopic Mass | 395.038g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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