TL;DR: Acetamide, N-[4-(4-bromobutoxy)-2-nitrophenyl]- (CAS 152538-16-4) is a chemical compound with molecular formula C12H15BrN2O4 and molecular weight 330.0215 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[4-(4-bromobutoxy)-2-nitrophenyl]acetamide
Also Known As: Acetamide, N-[4-(4-bromobutoxy)-2-nitrophenyl]-, 4-(4-bromobutoxy)-2-nitroacetanilide, N-[4-(4-bromobutoxy)-2-nitro-phenyl]acetamide, N-[4-(4-BROMOBUTOXY)-2-NITROPHENYL]ACETAMIDE
| Molecular Formula | C12H15BrN2O4 |
| Molecular Weight | 330.0215 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 84.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 330.0215 Da |
| Heavy Atoms | 19 |
| Complexity | 309.0 |
| SMILES | CC(=O)NC1=C(C=C(C=C1)OCCCCBr)[N+](=O)[O-] |
| InChIKey | RVBOPGSCNZDQQE-UHFFFAOYSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetamide, N-[4-(4-bromobutoxy)-2-nitrophenyl]-. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetamide, N-[4-(4-bromobutoxy)-2-nitrophenyl]-. Following Lipinski's Rule of Five, Acetamide, N-[4-(4-bromobutoxy)-2-nitrophenyl]- 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 Acetamide, N-[4-(4-bromobutoxy)-2-nitrophenyl]- is 152538-16-4.
The molecular formula of Acetamide, N-[4-(4-bromobutoxy)-2-nitrophenyl]- is C12H15BrN2O4.
The molecular weight of Acetamide, N-[4-(4-bromobutoxy)-2-nitrophenyl]- is 330.0215 g/mol.
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