TL;DR: (E)-N-(5-chloro-2-morpholin-4-ylphenyl)-2-cyano-3-(2,6-difluorophenyl)prop-2-enamide (CAS 1004736-50-8) is a chemical compound with molecular formula C20H16ClF2N3O2 and molecular weight 403.0899 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-N-(5-chloro-2-morpholin-4-ylphenyl)-2-cyano-3-(2,6-difluorophenyl)prop-2-enamide
Also Known As: (E)-N-(5-chloro-2-morpholin-4-ylphenyl)-2-cyano-3-(2,6-difluorophenyl)prop-2-enamide, N-[5-chloro-2-(morpholin-4-yl)phenyl]-2-cyano-3-(2,6-difluorophenyl)prop-2-enamide
| Molecular Formula | C20H16ClF2N3O2 |
| Molecular Weight | 403.0899 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 65.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 403.0899 Da |
| Heavy Atoms | 28 |
| Complexity | 622.0 |
| SMILES | C1COCCN1C2=C(C=C(C=C2)Cl)NC(=O)/C(=C/C3=C(C=CC=C3F)F)/C#N |
| InChIKey | WGRRNTWBUZDAAD-JLHYYAGUSA-N |
The XLogP value of 4.2 indicates that (E)-N-(5-chloro-2-morpholin-4-ylphenyl)-2-cyano-3-(2,6-difluorophenyl)prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-N-(5-chloro-2-morpholin-4-ylphenyl)-2-cyano-3-(2,6-difluorophenyl)prop-2-enamide. Following Lipinski's Rule of Five, (E)-N-(5-chloro-2-morpholin-4-ylphenyl)-2-cyano-3-(2,6-difluorophenyl)prop-2-enamide 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 (E)-N-(5-chloro-2-morpholin-4-ylphenyl)-2-cyano-3-(2,6-difluorophenyl)prop-2-enamide is 1004736-50-8.
The molecular formula of (E)-N-(5-chloro-2-morpholin-4-ylphenyl)-2-cyano-3-(2,6-difluorophenyl)prop-2-enamide is C20H16ClF2N3O2.
The molecular weight of (E)-N-(5-chloro-2-morpholin-4-ylphenyl)-2-cyano-3-(2,6-difluorophenyl)prop-2-enamide is 403.0899 g/mol.
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