| CAS Number | 1050911-12-0 |
| Catalog Number | AG019MEU |
| Chemical Name | 2-chloro-N-(3-cyano-1-phenyl-4,5,6,7-tetrahydro-1H-indol-2-yl)acetamide |
| IUPAC Name | 2-chloro-N-(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)acetamide |
| InChI | InChI=1S/C17H16ClN3O/c18-10-16(22)20-17-14(11-19)13-8-4-5-9-15(13)21(17)12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-10H2,(H,20,22) |
| InChI Key | XVIVXXDZTUSOJT-UHFFFAOYSA-N |
| MDL Number | MFCD17163473 |
| Molecular Formula | C17H16ClN3O |
| Molecular Weight | 313.7814 |
| SMILES | ClCC(NC1N(C2=CC=CC=C2)C2=C(CCCC2)C=1C#N)=O |
| Synonyms | 2-chloro-N-(3-cyano-1-phenyl-4,5,6,7-tetrahydro-1H-indol-2-yl)acetamide,
EN300-35973,
1050911-12-0,
AC1Q3TIC,
CTK6H5305,
ZINC20283119,
AKOS030690011,
MCULE-8464716501,
NE28519,
|
| Complexity | 454 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 313.098g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 313.785g/mol |
| Monoisotopic Mass | 313.098g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 57.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number