TL;DR: 2,4-dichloro-N-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-[2-(4-nitrophenyl)-2-oxoethyl]benzamide (CAS 1005127-65-0) is a chemical compound with molecular formula C24H17Cl2N3O6 and molecular weight 513.04944 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,4-dichloro-N-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-[2-(4-nitrophenyl)-2-oxoethyl]benzamide
Also Known As: 2,4-dichloro-N-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-[2-(4-nitrophenyl)-2-oxoethyl]benzamide, 2,4-dichloro-N-(1,3-dioxo-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-2(3H)-yl)-N-(2-(4-nitrophenyl)-2-oxoethyl)benzamide
| Molecular Formula | C24H17Cl2N3O6 |
| Molecular Weight | 513.04944 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 121.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 513.04944 Da |
| Heavy Atoms | 35 |
| Complexity | 945.0 |
| SMILES | C1C2C=CC1C3C2C(=O)N(C3=O)N(CC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)C5=C(C=C(C=C5)Cl)Cl |
| InChIKey | SZEMWBRBZWPWAL-UHFFFAOYSA-N |
The XLogP value of 4.1 indicates that 2,4-dichloro-N-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-[2-(4-nitrophenyl)-2-oxoethyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-dichloro-N-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-[2-(4-nitrophenyl)-2-oxoethyl]benzamide. Following Lipinski's Rule of Five, 2,4-dichloro-N-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-[2-(4-nitrophenyl)-2-oxoethyl]benzamide has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2,4-dichloro-N-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-[2-(4-nitrophenyl)-2-oxoethyl]benzamide is 1005127-65-0.
The molecular formula of 2,4-dichloro-N-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-[2-(4-nitrophenyl)-2-oxoethyl]benzamide is C24H17Cl2N3O6.
The molecular weight of 2,4-dichloro-N-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-[2-(4-nitrophenyl)-2-oxoethyl]benzamide is 513.04944 g/mol.
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