N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
Formula:C16H12N3OCl2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide is a drug-like molecule.
| MolName | N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide |
| MolecularFormula | C16H12N3OCl2F3 |
| Smiles | O=C(CNc1cc(C(F)(F)F)ccc1)N/N=C\c(cc1)cc(Cl)c1Cl |
| InChI | InChI=1S/C16H12Cl2F3N3O/c17-13-5-4-10(6-14(13)18)8-23-24-15(25)9-22-12-3-1-2-11(7-12)16(19,20)21/h1-8,22H,9H2,(H,24,25) |
| InChIK | AIOWTRLPFAUVTK-UHFFFAOYSA-N |
| TotalMolweight | 390.191 |
| Molweight | 390.191 |
| MonoisotopicMass | 389.03095 |
| CLogP | 4.5538 |
| CLogS | -5.793 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 272.51 |
| Relative PSA | 0.1742 |
| PolarSurfaceArea | 53.49 |
| Druglikeness | -2.1443 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide | 2 - N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
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