| CAS Number | 418790-72-4 |
| Catalog Number | AG0074DB(AGN-PC-0WB4AB) |
| Chemical Name | 4-ethoxy-N-(4-iodo-2-methylphenyl)benzamide |
| IUPAC Name | 4-ethoxy-N-(4-iodo-2-methylphenyl)benzamide |
| InChI | InChI=1S/C16H16INO2/c1-3-20-14-7-4-12(5-8-14)16(19)18-15-9-6-13(17)10-11(15)2/h4-10H,3H2,1-2H3,(H,18,19) |
| InChI Key | HHXWBFMHGFSOQK-UHFFFAOYSA-N |
| MDL Number | MFCD01309866 |
| Molecular Formula | C16H16INO2 |
| Molecular Weight | 381.2082 |
| SMILES | CCOc1ccc(cc1)C(=O)Nc1ccc(cc1C)I |
| Synonyms | 4-ethoxy-N-(4-iodo-2-methylphenyl)benzamide,
418790-72-4,
AC1LQGM0,
Cambridge id 5574031,
Oprea1_666267,
CTK4I5376,
DTXSID40361945,
CHEMBRDG-BB 5574031,
ZINC1187910,
MFCD01309866,
STK412634,
AKOS003241902,
MCULE-4322720893,
AJ-25084,
ST50911111,
W-8165,
(4-ethoxyphenyl)-N-(4-iodo-2-methylphenyl)carboxamide,
CHEMBRDG-BB5574031,
ZINC01187910,
CID1350175,
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| Complexity | 316 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 381.023g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 381.213g/mol |
| Monoisotopic Mass | 381.023g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number