N-(4-{4-[(aminocarbonyl)amino]benzyl}phenyl)urea
PubChem CID: 318591
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 13252-22-7, NSC255316, N-(4-{4-[(aminocarbonyl)amino]benzyl}phenyl)urea, CHEMBL94468, SCHEMBL1837826, 4,4'-methylenebis(phenyl urea), DTXSID50312504, AKOS024334216, NSC-255316, N,N'-[Methylenedi(4,1-phenylene)]diurea |
|---|---|
| Topological Polar Surface Area | 110.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 325.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [4-[[4-(carbamoylamino)phenyl]methyl]phenyl]urea |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 1.1 |
| Is Pains | False |
| Molecular Formula | C15H16N4O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LMFOYEUWVQZEAW-UHFFFAOYSA-N |
| Fcsp3 | 0.0666666666666666 |
| Rotatable Bond Count | 4.0 |
| Compound Name | N-(4-{4-[(aminocarbonyl)amino]benzyl}phenyl)urea |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 284.127 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 284.127 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 284.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.2235349428571425 |
| Inchi | InChI=1S/C15H16N4O2/c16-14(20)18-12-5-1-10(2-6-12)9-11-3-7-13(8-4-11)19-15(17)21/h1-8H,9H2,(H3,16,18,20)(H3,17,19,21) |
| Smiles | C1=CC(=CC=C1CC2=CC=C(C=C2)NC(=O)N)NC(=O)N |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cassia Quinquangula (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Mangifera Indica (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Peucedanum Rubricaule (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Senna Tora (Plant) Rel Props:Source_db:cmaup_ingredients