2,3-Dibromopropionamide
PubChem CID: 85798
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| Compound Synonyms | 2,3-Dibromopropionamide, 2,3-Dibromopropanamide, 15102-42-8, Propanamide, 2,3-dibromo-, EINECS 239-153-5, MFCD00031484, NSC 144295, 2,3-Dibromopropionamide, NSC 144295, NSC144295, Propionamide,3-dibromo-, 2,3-dibromo-propionamide, 2,3-Dibromopropanamide #, Propanamide,2,3-dibromo-, SCHEMBL55902, Propionamide, 2,3-dibromo-, 2 pound not3-Dibromopropionamide, DTXSID10864554, AKOS015833860, NSC-144295, AC-19535, AS-58446, SY049979, DB-043076, CS-0013982, D1378, NS00008181, D95258, 239-153-5 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 43.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Deep Smiles | NC=O)CCBr))Br |
| Heavy Atom Count | 7.0 |
| Classyfire Class | Carboxylic acids and derivatives |
| Classyfire Subclass | Carboxylic acid derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 75.3 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,3-dibromopropanamide |
| Veber Rule | True |
| Classyfire Superclass | Organic acids and derivatives |
| Xlogp | 0.7 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C3H5Br2NO |
| Inchi Key | DZQCMQRQFZXQKN-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | 2,3-dibromopropionamide |
| Esol Class | Very soluble |
| Functional Groups | CBr, CC(N)=O |
| Compound Name | 2,3-Dibromopropionamide |
| Exact Mass | 230.872 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 228.874 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 230.89 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C3H5Br2NO/c4-1-2(5)3(6)7/h2H,1H2,(H2,6,7) |
| Smiles | C(C(C(=O)N)Br)Br |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Daucus Carota (Plant) Rel Props:Reference:ISBN:9788172361150