TL;DR: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetamide (CAS 1212198-93-0) is a chemical compound with molecular formula C20H16ClF3N2O3 and molecular weight 424.08017 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)acetamide
Also Known As: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetamide, 2-(3,5-dioxo-4-azatetracyclo[5.3.2.0<2,6>.0<8,10>]dodec-11-en-4-yl)-N-[2-chlor o-5-(trifluoromethyl)phenyl]acetamide, N-(2-chloro-5-(trifluoromethyl)phenyl)-2-(1,3-dioxo-3,3a,4,4a,5,5a,6,6a-octahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetamide
| Molecular Formula | C20H16ClF3N2O3 |
| Molecular Weight | 424.08017 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 | 424.08017 Da |
| Heavy Atoms | 29 |
| Complexity | 764.0 |
| SMILES | C1C2C1C3C=CC2C4C3C(=O)N(C4=O)CC(=O)NC5=C(C=CC(=C5)C(F)(F)F)Cl |
| InChIKey | KPVZEGGTGDZPLT-UHFFFAOYSA-N |
The XLogP value of 3.0 indicates that N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-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-[2-chloro-5-(trifluoromethyl)phenyl]-2-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetamide. Following Lipinski's Rule of Five, N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-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-[2-chloro-5-(trifluoromethyl)phenyl]-2-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetamide is 1212198-93-0.
The molecular formula of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetamide is C20H16ClF3N2O3.
The molecular weight of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetamide is 424.08017 g/mol.
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