| CAS Number | 1087784-66-4 |
| Catalog Number | AG019N4M |
| Chemical Name | 2-chloro-N-{3-cyano-1-[(oxolan-2-yl)methyl]-4,5,6,7-tetrahydro-1H-indol-2-yl}acetamide |
| IUPAC Name | 2-chloro-N-[3-cyano-1-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydroindol-2-yl]acetamide |
| InChI | InChI=1S/C16H20ClN3O2/c17-8-15(21)19-16-13(9-18)12-5-1-2-6-14(12)20(16)10-11-4-3-7-22-11/h11H,1-8,10H2,(H,19,21) |
| InChI Key | NRUFLRSCJADFRI-UHFFFAOYSA-N |
| MDL Number | MFCD11505428 |
| Molecular Formula | C16H20ClN3O2 |
| Molecular Weight | 321.8019 |
| SMILES | ClCC(NC1N(CC2OCCC2)C2=C(CCCC2)C=1C#N)=O |
| Synonyms | 2-chloro-N-[3-cyano-1-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1H-indol-2-yl]acetamide,
EN300-39389,
2-chloro-N-[3-cyano-1-(tetrahydrofuran-2-ylmethyl)-4,5,6,7-tetrahydro-1H-indol-2-yl]acetamide,
1087784-66-4,
AC1Q3TID,
CTK6H5306,
AKOS030744370,
MCULE-9535121000,
NE21980,
|
| Complexity | 464 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 321.124g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 321.805g/mol |
| Monoisotopic Mass | 321.124g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 67A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number