TL;DR: 4-(((5-Fluoro-2-hydroxyphenyl)-1-naphthalenylmethylene)amino)butanamide (CAS 131842-91-6) is a chemical compound with molecular formula C21H19FN2O2 and molecular weight 350.14307 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[[(5-fluoro-2-hydroxyphenyl)-naphthalen-1-ylmethylidene]amino]butanamide
Also Known As: 4-(alpha-(1-Naphthyl)-5-fluoro-2-hydroxybenzylidenimino)butyramide, 4-(((5-Fluoro-2-hydroxyphenyl)-1-naphthalenylmethylene)amino)butanamide, Butanamide, 4-(((5-fluoro-2-hydroxyphenyl)-1-naphthalenylmethylene)amino)-, 4-[[(E)-(3-fluoro-6-oxocyclohexa-2,4-dien-1-ylidene)-naphthalen-1-ylmethyl]amino]butanamide
| Molecular Formula | C21H19FN2O2 |
| Molecular Weight | 350.14307 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 75.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 350.14307 Da |
| Heavy Atoms | 26 |
| Complexity | 510.0 |
| SMILES | C1=CC=C2C(=C1)C=CC=C2C(=NCCCC(=O)N)C3=C(C=CC(=C3)F)O |
| InChIKey | PBIFUEVXWGITSK-UHFFFAOYSA-N |
The XLogP value of 3.6 indicates that 4-(((5-Fluoro-2-hydroxyphenyl)-1-naphthalenylmethylene)amino)butanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(((5-Fluoro-2-hydroxyphenyl)-1-naphthalenylmethylene)amino)butanamide. Following Lipinski's Rule of Five, 4-(((5-Fluoro-2-hydroxyphenyl)-1-naphthalenylmethylene)amino)butanamide has 2 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-(((5-Fluoro-2-hydroxyphenyl)-1-naphthalenylmethylene)amino)butanamide is 131842-91-6.
The molecular formula of 4-(((5-Fluoro-2-hydroxyphenyl)-1-naphthalenylmethylene)amino)butanamide is C21H19FN2O2.
The molecular weight of 4-(((5-Fluoro-2-hydroxyphenyl)-1-naphthalenylmethylene)amino)butanamide is 350.14307 g/mol.
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