| CAS Number | 117459-38-8 |
| Catalog Number | AG019PFB(AGN-PC-0MQW0X) |
| Chemical Name | 2-(2-chloroacetamido)-N-[(furan-2-yl)methyl]benzamide |
| IUPAC Name | 2-[(2-chloroacetyl)amino]-N-(furan-2-ylmethyl)benzamide |
| InChI | InChI=1S/C14H13ClN2O3/c15-8-13(18)17-12-6-2-1-5-11(12)14(19)16-9-10-4-3-7-20-10/h1-7H,8-9H2,(H,16,19)(H,17,18) |
| InChI Key | XKCUEYYBBXOLDO-UHFFFAOYSA-N |
| MDL Number | MFCD08245276 |
| Molecular Formula | C14H13ClN2O3 |
| Molecular Weight | 292.7176 |
| SMILES | ClCC(NC1=C(C(NCC2OC=CC=2)=O)C=CC=C1)=O |
| Synonyms | 2-(2-chloroacetamido)-N-(furan-2-ylmethyl)benzamide,
117459-38-8,
2-[(chloroacetyl)amino]-N-(2-furylmethyl)benzamide,
AC1Q3TIK,
CTK6H5623,
ZINC8231211,
AKOS001224648,
MCULE-6839123877,
NE18521,
UPCMLD0ENAT5544153:001,
EN300-23428,
ZINC08231211,
CID9361761,
|
| Complexity | 351 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 292.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 292.719g/mol |
| Monoisotopic Mass | 292.061g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 71.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number