TL;DR: Ethanone, 2-((4-(dichloroacetyl)phenyl)amino)-2-hydroxy-1-phenyl- (CAS 27695-57-4) is a chemical compound with molecular formula C16H13Cl2NO3 and molecular weight 337.02725 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-(2,2-dichloroacetyl)anilino]-2-hydroxy-1-phenylethanone
Also Known As: 2-((4-(Dichloroacetyl)phenyl)amino)-2-hydroxy-1-phenylethanone, Ketone, 2-((4-(dichloroacetyl)phenyl)amino)-2-hydroxy-1-phenyl-, ETHANONE, 2-((4-(DICHLOROACETYL)PHENYL)AMINO)-2-HYDROXY-1-PHENYL-, 2-[4-(2,2-dichloroacetyl)anilino]-2-hydroxy-1-phenylethanone, 2,2-Dichloro-1-{4-[(1-hydroxy-2-oxo-2-phenylethyl)amino]phenyl}ethan-1-one
| Molecular Formula | C16H13Cl2NO3 |
| Molecular Weight | 337.02725 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 337.02725 Da |
| Heavy Atoms | 22 |
| Complexity | 389.0 |
| SMILES | C1=CC=C(C=C1)C(=O)C(NC2=CC=C(C=C2)C(=O)C(Cl)Cl)O |
| InChIKey | IWTKMHCTHPHYJE-UHFFFAOYSA-N |
The XLogP value of 3.8 indicates that Ethanone, 2-((4-(dichloroacetyl)phenyl)amino)-2-hydroxy-1-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanone, 2-((4-(dichloroacetyl)phenyl)amino)-2-hydroxy-1-phenyl-. Following Lipinski's Rule of Five, Ethanone, 2-((4-(dichloroacetyl)phenyl)amino)-2-hydroxy-1-phenyl- 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 Ethanone, 2-((4-(dichloroacetyl)phenyl)amino)-2-hydroxy-1-phenyl- is 27695-57-4.
The molecular formula of Ethanone, 2-((4-(dichloroacetyl)phenyl)amino)-2-hydroxy-1-phenyl- is C16H13Cl2NO3.
The molecular weight of Ethanone, 2-((4-(dichloroacetyl)phenyl)amino)-2-hydroxy-1-phenyl- is 337.02725 g/mol.
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