TL;DR: N-(1-(2-chlorobenzyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl)acetamide (CAS 900297-83-8) is a chemical compound with molecular formula C20H20ClF3N2O3 and molecular weight 428.11145 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[1-[(2-chlorophenyl)methyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]acetamide
Also Known As: N-(1-(2-chlorobenzyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl)acetamide, N-[1-(2-chlorobenzyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]acetamide, N-[1-[(2-chlorophenyl)methyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]acetamide
| Molecular Formula | C20H20ClF3N2O3 |
| Molecular Weight | 428.11145 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 66.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 428.11145 Da |
| Heavy Atoms | 29 |
| Complexity | 777.0 |
| SMILES | CC(=O)NC1(C2=C(CC(CC2=O)(C)C)N(C1=O)CC3=CC=CC=C3Cl)C(F)(F)F |
| InChIKey | XVYIHISYEGLCAS-UHFFFAOYSA-N |
The XLogP value of 3.0 indicates that N-(1-(2-chlorobenzyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.5 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1-(2-chlorobenzyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl)acetamide. Following Lipinski's Rule of Five, N-(1-(2-chlorobenzyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl)acetamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-(1-(2-chlorobenzyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl)acetamide is 900297-83-8.
The molecular formula of N-(1-(2-chlorobenzyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl)acetamide is C20H20ClF3N2O3.
The molecular weight of N-(1-(2-chlorobenzyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl)acetamide is 428.11145 g/mol.
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