2-cyano-N-[(Z)-[1-[2-(4-fluoroanilino)-2-oxoethyl]indol-3-yl]methylideneamino]acetamide
Formula:C20H16N5O2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-cyano-N-[(Z)-[1-[2-(4-fluoroanilino)-2-oxoethyl]indol-3-yl]methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-cyano-N-[(Z)-[1-[2-(4-fluoroanilino)-2-oxoethyl]indol-3-yl]methylideneamino]acetamide |
| MolecularFormula | C20H16N5O2F |
| Smiles | N#CCC(N/N=C\c1cn(CC(Nc(cc2)ccc2F)=O)c2c1cccc2)=O |
| InChI | InChI=1S/C20H16FN5O2/c21-15-5-7-16(8-6-15)24-20(28)13-26-12-14(11-23-25-19(27)9-10-22)17-3-1-2-4-18(17)26/h1-8,11-12H,9,13H2,(H,24,28)(H,25,27) |
| InChIK | JUTMFCMRIGAGRG-UHFFFAOYSA-N |
| TotalMolweight | 377.378 |
| Molweight | 377.378 |
| MonoisotopicMass | 377.128803 |
| CLogP | 2.3729 |
| CLogS | -4.45 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 295.58 |
| Relative PSA | 0.27383 |
| PolarSurfaceArea | 99.28 |
| Druglikeness | -1.8544 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-cyano-N-[(Z)-[1-[2-(4-fluoroanilino)-2-oxoethyl]indol-3-yl]methylideneamino]acetamide | 2 - 2-cyano-N-[(Z)-[1-[2-(4-fluoroanilino)-2-oxoethyl]indol-3-yl]methylideneamino]acetamide
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