N-[4-[[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]carbamoyl]phenyl]cyclopropanecarboxamide
Formula:C20H18N3O3F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[4-[[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]carbamoyl]phenyl]cyclopropanecarboxamide is a drug-like molecule.
| MolName | N-[4-[[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]carbamoyl]phenyl]cyclopropanecarboxamide |
| MolecularFormula | C20H18N3O3F |
| Smiles | O=C(C1CC1)Nc(cc1)ccc1C(NNC(/C=C/c(cc1)ccc1F)=O)=O |
| InChI | InChI=1S/C20H18FN3O3/c21-16-8-1-13(2-9-16)3-12-18(25)23-24-20(27)15-6-10-17(11-7-15)22-19(26)14-4-5-14/h1-3,6-12,14H,4-5H2,(H,22,26)(H,23,25)(H,24,27) |
| InChIK | VNSZJDJOBXCXFW-UHFFFAOYSA-N |
| TotalMolweight | 367.379 |
| Molweight | 367.379 |
| MonoisotopicMass | 367.13322 |
| CLogP | 2.0694 |
| CLogS | -4.852 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 280.02 |
| Relative PSA | 0.26248 |
| PolarSurfaceArea | 87.3 |
| Druglikeness | 1.7188 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.7037 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[4-[[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]carbamoyl]phenyl]cyclopropanecarboxamide | 2 - N-[4-[[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]carbamoyl]phenyl]cyclopropanecarboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off