| CAS Number | 1049604-75-2 |
| Catalog Number | AG019P9J |
| Chemical Name | 2-chloro-N-{[(2-methoxyphenyl)carbamoyl]methyl}-N-propylacetamide |
| IUPAC Name | 2-[(2-chloroacetyl)-propylamino]-N-(2-methoxyphenyl)acetamide |
| InChI | InChI=1S/C14H19ClN2O3/c1-3-8-17(14(19)9-15)10-13(18)16-11-6-4-5-7-12(11)20-2/h4-7H,3,8-10H2,1-2H3,(H,16,18) |
| InChI Key | NXCZZJXJRNCFHV-UHFFFAOYSA-N |
| MDL Number | MFCD10686655 |
| Molecular Formula | C14H19ClN2O3 |
| Molecular Weight | 298.7653 |
| SMILES | CCCN(C(CCl)=O)CC(NC1=C(OC)C=CC=C1)=O |
| Synonyms | 2-chloro-N-{[(2-methoxyphenyl)carbamoyl]methyl}-N-propylacetamide,
1049604-75-2,
2-chloro-N-{2-[(2-methoxyphenyl)amino]-2-oxoethyl}-N-propylacetamide,
AC1Q2XNR,
CTK6E3976,
ZINC20268507,
NE20242,
EN300-22855,
J-001296,
|
| Complexity | 326 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 298.108g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 298.767g/mol |
| Monoisotopic Mass | 298.108g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 58.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
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