TL;DR: N-(3,4-dimethylphenyl)-2-[1-(4-fluorobenzoyl)-3-oxodecahydro-2-quinoxalinyl]acetamide (CAS 1092773-91-5) is a chemical compound with molecular formula C25H28FN3O3 and molecular weight 437.21146 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(3,4-dimethylphenyl)-2-[1-(4-fluorobenzoyl)-3-oxo-2,4,4a,5,6,7,8,8a-octahydroquinoxalin-2-yl]acetamide
Also Known As: N-(3,4-dimethylphenyl)-2-[1-(4-fluorobenzoyl)-3-oxodecahydro-2-quinoxalinyl]acetamide, N-(3,4-dimethylphenyl)-2-{1-[(4-fluorophenyl)carbonyl]-3-oxodecahydroquinoxalin-2-yl}acetamide, N-(3,4-dimethylphenyl)-2-(1-(4-fluorobenzoyl)-3-oxodecahydroquinoxalin-2-yl)acetamide, N-(3,4-dimethylphenyl)-2-[1-(4-fluorobenzoyl)-3-oxo-2,4,4a,5,6,7,8,8a-octahydroquinoxalin-2-yl]acetamide, N-(3,4-DIMETHYLPHENYL)-2-[1-(4-FLUOROBENZOYL)-3-OXO-DECAHYDROQUINOXALIN-2-YL]ACETAMIDE
| Molecular Formula | C25H28FN3O3 |
| Molecular Weight | 437.21146 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 78.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 437.21146 Da |
| Heavy Atoms | 32 |
| Complexity | 709.0 |
| SMILES | CC1=C(C=C(C=C1)NC(=O)CC2C(=O)NC3CCCCC3N2C(=O)C4=CC=C(C=C4)F)C |
| InChIKey | ATHCHAZVWVEPPU-UHFFFAOYSA-N |
The XLogP value of 3.5 indicates that N-(3,4-dimethylphenyl)-2-[1-(4-fluorobenzoyl)-3-oxodecahydro-2-quinoxalinyl]acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.5 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3,4-dimethylphenyl)-2-[1-(4-fluorobenzoyl)-3-oxodecahydro-2-quinoxalinyl]acetamide. Following Lipinski's Rule of Five, N-(3,4-dimethylphenyl)-2-[1-(4-fluorobenzoyl)-3-oxodecahydro-2-quinoxalinyl]acetamide has 2 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 N-(3,4-dimethylphenyl)-2-[1-(4-fluorobenzoyl)-3-oxodecahydro-2-quinoxalinyl]acetamide is 1092773-91-5.
The molecular formula of N-(3,4-dimethylphenyl)-2-[1-(4-fluorobenzoyl)-3-oxodecahydro-2-quinoxalinyl]acetamide is C25H28FN3O3.
The molecular weight of N-(3,4-dimethylphenyl)-2-[1-(4-fluorobenzoyl)-3-oxodecahydro-2-quinoxalinyl]acetamide is 437.21146 g/mol.
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