TL;DR: Acetanilide, 4'-bromo-2-fluoro-N-methyl- (CAS 10385-00-9) is a chemical compound with molecular formula C9H9BrFNO and molecular weight 244.98515 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(4-bromophenyl)-2-fluoro-N-methylacetamide
Also Known As: N-(4-bromophenyl)-2-fluoro-N-methylacetamide, 4'-Bromo-2-fluoro-N-methylacetanilide, ACETANILIDE, 4'-BROMO-2-FLUORO-N-METHYL-, 4/'-Bromo-2-fluoro-N-methylacetanilide, 4 -Bromo-2-fluoro-N-methylacetanilide
| Molecular Formula | C9H9BrFNO |
| Molecular Weight | 244.98515 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 244.98515 Da |
| Heavy Atoms | 13 |
| Complexity | 180.0 |
| SMILES | CN(C1=CC=C(C=C1)Br)C(=O)CF |
| InChIKey | FATGIAYGVSQXJB-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetanilide, 4'-bromo-2-fluoro-N-methyl-. With a topological polar surface area (TPSA) of 20.3 Ų, Acetanilide, 4'-bromo-2-fluoro-N-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetanilide, 4'-bromo-2-fluoro-N-methyl- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Acetanilide, 4'-bromo-2-fluoro-N-methyl- is 10385-00-9.
The molecular formula of Acetanilide, 4'-bromo-2-fluoro-N-methyl- is C9H9BrFNO.
The molecular weight of Acetanilide, 4'-bromo-2-fluoro-N-methyl- is 244.98515 g/mol.
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