| CAS Number | 519017-80-2 |
| Catalog Number | AG01DLVP |
| Chemical Name | N-(4-cyanophenyl)-4-ethoxybenzamide |
| IUPAC Name | N-(4-cyanophenyl)-4-ethoxybenzamide |
| InChI | InChI=1S/C16H14N2O2/c1-2-20-15-9-5-13(6-10-15)16(19)18-14-7-3-12(11-17)4-8-14/h3-10H,2H2,1H3,(H,18,19) |
| InChI Key | SPYJHBNUPLGIAH-UHFFFAOYSA-N |
| MDL Number | MFCD02860181 |
| Molecular Formula | C16H14N2O2 |
| Molecular Weight | 266.2946 |
| SMILES | CCOc1ccc(cc1)C(=O)Nc1ccc(cc1)C#N |
| Synonyms | N-(4-cyanophenyl)-4-ethoxybenzamide,
519017-80-2,
50286-54-9,
AC1NETDF,
DTXSID10404712,
ZINC4590907,
AB3600,
MFCD02860181,
STK022151,
AKOS000173621,
MCULE-3763210931,
ST50721985,
N-(4-cyanophenyl)(4-ethoxyphenyl)carboxamide,
ZINC04590907,
CID4597736,
|
| Complexity | 358 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.3g/mol |
| Monoisotopic Mass | 266.106g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 62.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number