TL;DR: 3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)-N-(4-fluorophenyl)benzamide (CAS 1212373-83-5) is a chemical compound with molecular formula C24H19FN2O3 and molecular weight 402.13797 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)-N-(4-fluorophenyl)benzamide
Also Known As: 3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)-N-(4-fluorophenyl)benzamide, 3-(1,3-dioxo-3,3a,4,4a,5,5a,6,6a-octahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)-N-(4-fluorophenyl)benzamide, [3-(3,5-dioxo-4-azatetracyclo[5.3.2.0<2,6>.0<8,10>]dodec-11-en-4-yl)phenyl]-N- (4-fluorophenyl)carboxamide, 3-{3,5-DIOXO-4-AZATETRACYCLO[5.3.2.0(2),?.0?,(1)?]DODEC-11-EN-4-YL}-N-(4-FLUOROPHENYL)BENZAMIDE
| Molecular Formula | C24H19FN2O3 |
| Molecular Weight | 402.13797 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 66.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 402.13797 Da |
| Heavy Atoms | 30 |
| Complexity | 768.0 |
| SMILES | C1C2C1C3C=CC2C4C3C(=O)N(C4=O)C5=CC=CC(=C5)C(=O)NC6=CC=C(C=C6)F |
| InChIKey | LPRDKGYMPJZAIG-UHFFFAOYSA-N |
The XLogP value of 3.1 indicates that 3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)-N-(4-fluorophenyl)benzamide 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 3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)-N-(4-fluorophenyl)benzamide. Following Lipinski's Rule of Five, 3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)-N-(4-fluorophenyl)benzamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)-N-(4-fluorophenyl)benzamide is 1212373-83-5.
The molecular formula of 3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)-N-(4-fluorophenyl)benzamide is C24H19FN2O3.
The molecular weight of 3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)-N-(4-fluorophenyl)benzamide is 402.13797 g/mol.
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