TL;DR: 3-(2-chlorophenyl)-N-(3-pyridinylmethyl)acrylamide (CAS 1287721-11-2) is a chemical compound with molecular formula C15H13ClN2O and molecular weight 272.07166 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
Also Known As: BAS 02257429, 3-(2-chlorophenyl)-N-(3-pyridinylmethyl)acrylamide, BIM-0028625.P001, (E)-3-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide, 3-(2-Chloro-phenyl)-N-pyridin-3-ylmethyl-acrylamide
| Molecular Formula | C15H13ClN2O |
| Molecular Weight | 272.07166 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 42.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 272.07166 Da |
| Heavy Atoms | 19 |
| Complexity | 319.0 |
| SMILES | C1=CC=C(C(=C1)/C=C/C(=O)NCC2=CN=CC=C2)Cl |
| InChIKey | UZAJKTADEDDFNT-BQYQJAHWSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-chlorophenyl)-N-(3-pyridinylmethyl)acrylamide. With a topological polar surface area (TPSA) of 42.0 Ų, 3-(2-chlorophenyl)-N-(3-pyridinylmethyl)acrylamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-chlorophenyl)-N-(3-pyridinylmethyl)acrylamide has 1 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-(2-chlorophenyl)-N-(3-pyridinylmethyl)acrylamide is 1287721-11-2.
The molecular formula of 3-(2-chlorophenyl)-N-(3-pyridinylmethyl)acrylamide is C15H13ClN2O.
The molecular weight of 3-(2-chlorophenyl)-N-(3-pyridinylmethyl)acrylamide is 272.07166 g/mol.
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