TL;DR: Butanamide, 4-chloro-N-(4-methoxyphenyl)-3-oxo- (CAS 71919-02-3) is a chemical compound with molecular formula C11H12ClNO3 and molecular weight 241.05057 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-chloro-N-(4-methoxyphenyl)-3-oxobutanamide
Also Known As: 4-chloro-N-(4-methoxyphenyl)-3-oxobutanamide, Butanamide, 4-chloro-N-(4-methoxyphenyl)-3-oxo-
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C11H12ClNO3 |
| Molecular Weight | 241.05057 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 241.05057 Da |
| Heavy Atoms | 16 |
| Complexity | 250.0 |
| SMILES | COC1=CC=C(C=C1)NC(=O)CC(=O)CCl |
| InChIKey | NPAAOGDGLLMPHM-UHFFFAOYSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanamide, 4-chloro-N-(4-methoxyphenyl)-3-oxo-. With a topological polar surface area (TPSA) of 55.4 Ų, Butanamide, 4-chloro-N-(4-methoxyphenyl)-3-oxo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanamide, 4-chloro-N-(4-methoxyphenyl)-3-oxo- 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 Butanamide, 4-chloro-N-(4-methoxyphenyl)-3-oxo- is 71919-02-3.
The molecular formula of Butanamide, 4-chloro-N-(4-methoxyphenyl)-3-oxo- is C11H12ClNO3.
The molecular weight of Butanamide, 4-chloro-N-(4-methoxyphenyl)-3-oxo- is 241.05057 g/mol.
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