N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
Formula:C16H12N4O3ClF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide is a drug-like molecule.
| MolName | N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide |
| MolecularFormula | C16H12N4O3ClF3 |
| Smiles | [O-][N+](c(cc(/C=N\NC(CNc1cc(C(F)(F)F)ccc1)=O)cc1)c1Cl)=O |
| InChI | InChI=1S/C16H12ClF3N4O3/c17-13-5-4-10(6-14(13)24(26)27)8-22-23-15(25)9-21-12-3-1-2-11(7-12)16(18,19)20/h1-8,21H,9H2,(H,23,25) |
| InChIK | QCQHNIUNYFSEFT-UHFFFAOYSA-N |
| TotalMolweight | 400.743 |
| Molweight | 400.743 |
| MonoisotopicMass | 400.055002 |
| CLogP | 3.0262 |
| CLogS | -5.517 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 280.76 |
| Relative PSA | 0.27743 |
| PolarSurfaceArea | 99.31 |
| Druglikeness | -7.2901 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide | 2 - N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
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