TL;DR: 3-(4-chlorophenyl)-N-(2-hydroxyethyl)prop-2-enamide (CAS 30687-04-8) is a chemical compound with molecular formula C11H12ClNO2 and molecular weight 225.05565 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-chlorophenyl)-N-(2-hydroxyethyl)prop-2-enamide
Also Known As: 3-(4-Chloro-phenyl)-N-(2-hydroxy-ethyl)-acrylamide
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C11H12ClNO2 |
| Molecular Weight | 225.05565 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 49.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 225.05565 Da |
| Heavy Atoms | 15 |
| Complexity | 223.0 |
| SMILES | C1=CC(=CC=C1C=CC(=O)NCCO)Cl |
| InChIKey | RHBQLRHLQXLTSV-UHFFFAOYSA-N |
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-chlorophenyl)-N-(2-hydroxyethyl)prop-2-enamide. With a topological polar surface area (TPSA) of 49.3 Ų, 3-(4-chlorophenyl)-N-(2-hydroxyethyl)prop-2-enamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-chlorophenyl)-N-(2-hydroxyethyl)prop-2-enamide has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-(4-chlorophenyl)-N-(2-hydroxyethyl)prop-2-enamide is 30687-04-8.
The molecular formula of 3-(4-chlorophenyl)-N-(2-hydroxyethyl)prop-2-enamide is C11H12ClNO2.
The molecular weight of 3-(4-chlorophenyl)-N-(2-hydroxyethyl)prop-2-enamide is 225.05565 g/mol.
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