(2R)-N-[(Z)-(4-fluorophenyl)methylideneamino]-2-(2-hydroxy-5-nitroanilino)-2-phenylacetamide
Formula:C21H17N4O4F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2R)-N-[(Z)-(4-fluorophenyl)methylideneamino]-2-(2-hydroxy-5-nitroanilino)-2-phenylacetamide is a drug-like molecule.
| MolName | (2R)-N-[(Z)-(4-fluorophenyl)methylideneamino]-2-(2-hydroxy-5-nitroanilino)-2-phenylacetamide |
| MolecularFormula | C21H17N4O4F |
| Smiles | [O-][N+](c(cc1)cc(N[C@@H](C(N/N=C\c(cc2)ccc2F)=O)c2ccccc2)c1O)=O |
| InChI | InChI=1S/C21H17FN4O4/c22-16-8-6-14(7-9-16)13-23-25-21(28)20(15-4-2-1-3-5-15)24-18-12-17(26(29)30)10-11-19(18)27/h1-13,20,24,27H,(H,25,28)/t20-/m1/s1 |
| InChIK | NDORNCNJQGKTIO-HXUWFJFHSA-N |
| TotalMolweight | 408.388 |
| Molweight | 408.388 |
| MonoisotopicMass | 408.123384 |
| CLogP | 2.6255 |
| CLogS | -5.115 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 307.08 |
| Relative PSA | 0.29631 |
| PolarSurfaceArea | 119.54 |
| Druglikeness | -0.52252 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (2R)-N-[(Z)-(4-fluorophenyl)methylideneamino]-2-(2-hydroxy-5-nitroanilino)-2-phenylacetamide | 2 - (2R)-N-[(Z)-(4-fluorophenyl)methylideneamino]-2-(2-hydroxy-5-nitroanilino)-2-phenylacetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off