Imides
PubChem CID: 443040
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 39985-64-3, N-(4-Bromophenyl)-3,4,5,6-tetrahydrophthalimide, Imide, 2-(4-bromophenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione, CHEBI:5877, 2-(4-Bromophenyl)-4,5,6,7-tetrahydro-1H-isoindole-1,3(2H)-dione, 1H-Isoindole-1,3(2H)-dione, 2-(4-bromophenyl)-4,5,6,7-tetrahydro-, AC1L9DXB, Imides, CTK4I2216, CHEMBL2289026, CHEBI:24782, DTXSID80193020, DB-260030, N-(p-bromophenyl)-3,4,5,6-tetrahydrophthalimide, Q27106922 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 37.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1C2CCCCC2C(C)C1C1CCCCC1 |
| Deep Smiles | O=CC=CC=O)N5cccccc6))Br)))))))CCCC6 |
| Heavy Atom Count | 18.0 |
| Classyfire Class | Pyrrolines |
| Scaffold Graph Node Level | OC1C2CCCCC2C(O)N1C1CCCCC1 |
| Classyfire Subclass | Phenylpyrrolines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 394.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(4-bromophenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 3.1 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C14H12BrNO2 |
| Scaffold Graph Node Bond Level | O=C1C2=C(CCCC2)C(=O)N1c1ccccc1 |
| Inchi Key | DEMFUFJSZCRLRV-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | imide |
| Esol Class | Moderately soluble |
| Functional Groups | cBr, cN1C(=O)C(C)=C(C)C1=O |
| Compound Name | Imides |
| Exact Mass | 305.005 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 305.005 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 306.15 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C14H12BrNO2/c15-9-5-7-10(8-6-9)16-13(17)11-3-1-2-4-12(11)14(16)18/h5-8H,1-4H2 |
| Smiles | C1CCC2=C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)Br |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Anthranilic acid alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Papaver Somniferum (Plant) Rel Props:Reference:ISBN:9788171360536