| MolName | N-[4-[[(3-iodo-4-methoxybenzoyl)amino]carbamoyl]phenyl]-2-methylbenzamide |
| MolecularFormula | C23H20N3O4I |
| Smiles | Cc(cccc1)c1C(Nc(cc1)ccc1C(NNC(c(cc1)cc(I)c1OC)=O)=O)=O |
| InChI | InChI=1S/C23H20IN3O4/c1-14-5-3-4-6-18(14)23(30)25-17-10-7-15(8-11-17)21(28)26-27-22(29)16-9-12-20(31-2)19(24)13-16/h3-13H,1-2H3,(H,25,30)(H,26,28)(H,27,29) |
| InChIK | FVMMGOCFUZBEAL-UHFFFAOYSA-N |
| TotalMolweight | 529.329 |
| Molweight | 529.329 |
| MonoisotopicMass | 529.049855 |
| CLogP | 3.4761 |
| CLogS | -6.2 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 341.21 |
| Relative PSA | 0.24472 |
| PolarSurfaceArea | 96.53 |
| Druglikeness | 2.77 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64516 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[4-[[(3-iodo-4-methoxybenzoyl)amino]carbamoyl]phenyl]-2-methylbenzamide | 2 - N-[4-[[(3-iodo-4-methoxybenzoyl)amino]carbamoyl]phenyl]-2-methylbenzamide