2-cyano-N-[(Z)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]acetamide
Formula:C18H15N4O3F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-cyano-N-[(Z)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-cyano-N-[(Z)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]acetamide |
| MolecularFormula | C18H15N4O3F |
| Smiles | N#CCC(N/N=C\c(cc1)ccc1OCC(Nc(cc1)ccc1F)=O)=O |
| InChI | InChI=1S/C18H15FN4O3/c19-14-3-5-15(6-4-14)22-18(25)12-26-16-7-1-13(2-8-16)11-21-23-17(24)9-10-20/h1-8,11H,9,12H2,(H,22,25)(H,23,24) |
| InChIK | YJCKBSBWZYOLAS-UHFFFAOYSA-N |
| TotalMolweight | 354.34 |
| Molweight | 354.34 |
| MonoisotopicMass | 354.112819 |
| CLogP | 2.281 |
| CLogS | -4.575 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 281.78 |
| Relative PSA | 0.29835 |
| PolarSurfaceArea | 103.58 |
| Druglikeness | -3.9128 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.76923 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - 2-cyano-N-[(Z)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]acetamide | 2 - 2-cyano-N-[(Z)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]acetamide
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