2-[(4-fluorophenyl)carbamoylamino]-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide
Formula:C16H15N4O3F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(4-fluorophenyl)carbamoylamino]-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[(4-fluorophenyl)carbamoylamino]-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide |
| MolecularFormula | C16H15N4O3F |
| Smiles | Oc1cccc(/C=N\NC(CNC(Nc(cc2)ccc2F)=O)=O)c1 |
| InChI | InChI=1S/C16H15FN4O3/c17-12-4-6-13(7-5-12)20-16(24)18-10-15(23)21-19-9-11-2-1-3-14(22)8-11/h1-9,22H,10H2,(H,21,23)(H2,18,20,24) |
| InChIK | VSHLFIRSACPYDJ-UHFFFAOYSA-N |
| TotalMolweight | 330.318 |
| Molweight | 330.318 |
| MonoisotopicMass | 330.112819 |
| CLogP | 2.0343 |
| CLogS | -4.022 |
| H Acceptors | 7 |
| H Donors | 4 |
| TotalSurfaceArea | 254.12 |
| Relative PSA | 0.33476 |
| PolarSurfaceArea | 102.82 |
| Druglikeness | 4.1115 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
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1 - 2-[(4-fluorophenyl)carbamoylamino]-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide | 2 - 2-[(4-fluorophenyl)carbamoylamino]-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide
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