TL;DR: 4'-Methoxy-3'-nitroacetanilide (CAS 50651-39-3) is a chemical compound with molecular formula C9H10N2O4 and molecular weight 210.06406 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(4-methoxy-3-nitrophenyl)acetamide
Also Known As: N-(4-Methoxy-3-nitrophenyl)acetamide, N- acetamide, 3'-Nitro-p-acetanisidide, 4-Acetylamino-2-nitroanisole, Omeprazole Impurity 64
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C9H10N2O4 |
| Molecular Weight | 210.06406 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 84.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 210.06406 Da |
| Heavy Atoms | 15 |
| Complexity | 251.0 |
| SMILES | CC(=O)NC1=CC(=C(C=C1)OC)[N+](=O)[O-] |
| InChIKey | MYIUWCZXTNZSMN-UHFFFAOYSA-N |
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4'-Methoxy-3'-nitroacetanilide. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4'-Methoxy-3'-nitroacetanilide. Following Lipinski's Rule of Five, 4'-Methoxy-3'-nitroacetanilide 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 4'-Methoxy-3'-nitroacetanilide is 50651-39-3.
The molecular formula of 4'-Methoxy-3'-nitroacetanilide is C9H10N2O4.
The molecular weight of 4'-Methoxy-3'-nitroacetanilide is 210.06406 g/mol.
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