| CAS Number | 434293-51-3 |
| Catalog Number | AG00DCMI(AGN-PC-0WB4QG) |
| Chemical Name | N-(4-Iodo-2-isopropylphenyl)-2-methylbenzamide |
| IUPAC Name | N-(4-iodo-2-propan-2-ylphenyl)-2-methylbenzamide |
| InChI | InChI=1S/C17H18INO/c1-11(2)15-10-13(18)8-9-16(15)19-17(20)14-7-5-4-6-12(14)3/h4-11H,1-3H3,(H,19,20) |
| InChI Key | JYYDWVYPCYHKCW-UHFFFAOYSA-N |
| MDL Number | MFCD03711210 |
| Molecular Formula | C17H18INO |
| Molecular Weight | 379.2354 |
| SMILES | Ic1ccc(c(c1)C(C)C)NC(=O)c1ccccc1C |
| Synonyms | 434293-51-3,
N-(4-IODO-2-ISOPROPYLPHENYL)-2-METHYLBENZAMIDE,
AC1LPC75,
CTK4I7331,
DTXSID80361742,
CHEMBRDG-BB 7032284,
ZINC1161110,
ZX-CM017169,
MFCD03711210,
AKOS022184540,
MCULE-2937229807,
AJ-25075,
Y-0769,
N-(4-iodo-2-propan-2-ylphenyl)-2-methylbenzamide,
N-[4-iodo-2-(propan-2-yl)phenyl]-2-methylbenzamide,
ZINC01161110,
CID1329581,
|
| Complexity | 331 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 379.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 379.241g/mol |
| Monoisotopic Mass | 379.043g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.9 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number