TL;DR: N-{[5-(2-chloroacetyl)furan-2-yl]methyl}acetamide (CAS 115865-57-1) is a chemical compound with molecular formula C9H10ClNO3 and molecular weight 215.03493 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[[5-(2-chloroacetyl)furan-2-yl]methyl]acetamide
Also Known As: N-{[5-(2-chloroacetyl)furan-2-yl]methyl}acetamide, N-[[5-(2-chloroacetyl)furan-2-yl]methyl]acetamide, N-((5-(2-Chloroacetyl)furan-2-yl)methyl)acetamide, N-[5-(2-Chloro-acetyl)-furan-2-ylmethyl]-acetamide, 5-acetylaminomethyl-2-chloroacetylfuran
| Molecular Formula | C9H10ClNO3 |
| Molecular Weight | 215.03493 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 59.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 215.03493 Da |
| Heavy Atoms | 14 |
| Complexity | 232.0 |
| SMILES | CC(=O)NCC1=CC=C(O1)C(=O)CCl |
| InChIKey | CECVWYQULDGTQX-UHFFFAOYSA-N |
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-{[5-(2-chloroacetyl)furan-2-yl]methyl}acetamide. With a topological polar surface area (TPSA) of 59.3 Ų, N-{[5-(2-chloroacetyl)furan-2-yl]methyl}acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-{[5-(2-chloroacetyl)furan-2-yl]methyl}acetamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-{[5-(2-chloroacetyl)furan-2-yl]methyl}acetamide is 115865-57-1.
The molecular formula of N-{[5-(2-chloroacetyl)furan-2-yl]methyl}acetamide is C9H10ClNO3.
The molecular weight of N-{[5-(2-chloroacetyl)furan-2-yl]methyl}acetamide is 215.03493 g/mol.
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