| CAS Number | 1098347-63-7 |
| Catalog Number | AG019KQT |
| Chemical Name | 3-(2-chloropropanamido)-N,N-diethylbenzamide |
| IUPAC Name | 3-(2-chloropropanoylamino)-N,N-diethylbenzamide |
| InChI | InChI=1S/C14H19ClN2O2/c1-4-17(5-2)14(19)11-7-6-8-12(9-11)16-13(18)10(3)15/h6-10H,4-5H2,1-3H3,(H,16,18) |
| InChI Key | QTGRSOUNUZEXMQ-UHFFFAOYSA-N |
| MDL Number | MFCD12655062 |
| Molecular Formula | C14H19ClN2O2 |
| Molecular Weight | 282.7659 |
| SMILES | CCN(C(C1=CC(NC(C(Cl)C)=O)=CC=C1)=O)CC |
| Synonyms | 3-(2-chloropropanamido)-N,N-diethylbenzamide,
1098347-63-7,
AC1Q2YSJ,
CTK6E6760,
AKOS009128991,
NE24935,
EN300-28047,
|
| Complexity | 319 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 282.114g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 282.768g/mol |
| Monoisotopic Mass | 282.114g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 49.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number