N-[(Z)-[3-(2-chloro-5-fluoropyrimidin-4-yl)oxyphenyl]methylideneamino]-3-iodobenzamide
Formula:C18H11N4O2ClFI
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3-(2-chloro-5-fluoropyrimidin-4-yl)oxyphenyl]methylideneamino]-3-iodobenzamide is a drug-like molecule.
| MolName | N-[(Z)-[3-(2-chloro-5-fluoropyrimidin-4-yl)oxyphenyl]methylideneamino]-3-iodobenzamide |
| MolecularFormula | C18H11N4O2ClFI |
| Smiles | O=C(c1cccc(I)c1)N/N=C\c1cc(Oc2nc(Cl)ncc2F)ccc1 |
| InChI | InChI=1S/C18H11ClFIN4O2/c19-18-22-10-15(20)17(24-18)27-14-6-1-3-11(7-14)9-23-25-16(26)12-4-2-5-13(21)8-12/h1-10H,(H,25,26) |
| InChIK | LBADORJYVZDSSB-UHFFFAOYSA-N |
| TotalMolweight | 496.662 |
| Molweight | 496.662 |
| MonoisotopicMass | 495.959929 |
| CLogP | 4.7714 |
| CLogS | -7.374 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 302.32 |
| Relative PSA | 0.22476 |
| PolarSurfaceArea | 76.47 |
| Druglikeness | 3.439 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N-[(Z)-[3-(2-chloro-5-fluoropyrimidin-4-yl)oxyphenyl]methylideneamino]-3-iodobenzamide | 2 - N-[(Z)-[3-(2-chloro-5-fluoropyrimidin-4-yl)oxyphenyl]methylideneamino]-3-iodobenzamide
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