| CAS Number | 509114-15-2 |
| Catalog Number | AG00DAUV(AGN-PC-0WB4QZ) |
| Chemical Name | N-(4-Iodo-2-isopropylphenyl)benzamide |
| IUPAC Name | N-(4-iodo-2-propan-2-ylphenyl)benzamide |
| InChI | InChI=1S/C16H16INO/c1-11(2)14-10-13(17)8-9-15(14)18-16(19)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,18,19) |
| InChI Key | MAAGIOOCFUKYCD-UHFFFAOYSA-N |
| MDL Number | MFCD03712552 |
| Molecular Formula | C16H16INO |
| Molecular Weight | 365.2088 |
| SMILES | C(C1=CC=CC=C1)(=O)NC1=CC=C(C=C1C(C)C)I |
| Synonyms | 509114-15-2,
N-(4-IODO-2-ISOPROPYLPHENYL)BENZAMIDE,
CHEMBRDG-BB 7098510,
AC1LPGRL,
CTK4J3358,
DTXSID50361754,
ZINC1164095,
ZX-CM017204,
MFCD03712552,
STK106694,
AKOS003193613,
MCULE-9041053845,
ACM509114152,
AJ-25079,
N-(4-iodo-2-propan-2-ylphenyl)benzamide,
N-[4-iodo-2-(propan-2-yl)phenyl]benzamide,
Y-0772,
CHEMBRDG-BB7098510,
ZINC01164095,
CID1331759,
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| Complexity | 299 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 365.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 365.214g/mol |
| Monoisotopic Mass | 365.028g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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