TL;DR: Ethanone, 2-((4-(dibromoacetyl)phenyl)amino)-2-ethoxy-1-(4-nitrophenyl)- (CAS 27695-54-1) is a chemical compound with molecular formula C18H16Br2N2O5 and molecular weight 497.9426 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-(2,2-dibromoacetyl)anilino]-2-ethoxy-1-(4-nitrophenyl)ethanone
Also Known As: 2-((4-(Dibromoacetyl)phenyl)amino)-2-ethoxy-1-(4-nitrophenyl)ethanone, Ketone, 2-((4-(dibromoacetyl)phenyl)amino)-2-ethoxy-1-(4-nitrophenyl)-, ETHANONE, 2-((4-(DIBROMOACETYL)PHENYL)AMINO)-2-ETHOXY-1-(4-NITROPHENYL)-, 2-[4-(2,2-dibromoacetyl)anilino]-2-ethoxy-1-(4-nitrophenyl)ethanone, 2,2-Dibromo-1-(4-{[1-ethoxy-2-(4-nitrophenyl)-2-oxoethyl]amino}phenyl)ethan-1-one
| Molecular Formula | C18H16Br2N2O5 |
| Molecular Weight | 497.9426 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 499.94055 Da |
| Heavy Atoms | 27 |
| Complexity | 524.0 |
| SMILES | CCOC(C(=O)C1=CC=C(C=C1)[N+](=O)[O-])NC2=CC=C(C=C2)C(=O)C(Br)Br |
| InChIKey | BIPTUBUPASUPHB-UHFFFAOYSA-N |
The XLogP value of 4.9 indicates that Ethanone, 2-((4-(dibromoacetyl)phenyl)amino)-2-ethoxy-1-(4-nitrophenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanone, 2-((4-(dibromoacetyl)phenyl)amino)-2-ethoxy-1-(4-nitrophenyl)-. Following Lipinski's Rule of Five, Ethanone, 2-((4-(dibromoacetyl)phenyl)amino)-2-ethoxy-1-(4-nitrophenyl)- has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Ethanone, 2-((4-(dibromoacetyl)phenyl)amino)-2-ethoxy-1-(4-nitrophenyl)- is 27695-54-1.
The molecular formula of Ethanone, 2-((4-(dibromoacetyl)phenyl)amino)-2-ethoxy-1-(4-nitrophenyl)- is C18H16Br2N2O5.
The molecular weight of Ethanone, 2-((4-(dibromoacetyl)phenyl)amino)-2-ethoxy-1-(4-nitrophenyl)- is 497.9426 g/mol.
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