2,3-dibromo-2-(5-nitrofuran-2-yl)propanamide

C7H6Br2N2O4 — CID 21121874

IUPAC2,3-dibromo-2-(5-nitrofuran-2-yl)propanamide
SMILESNC(=O)C(Br)(CBr)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C7H6Br2N2O4/c8-3-7(9,6(10)12)4-1-2-5(15-4)11(13)14/h1-2H,3H2,(H2,10,12)
InChIKeyGOPXSZCHAZJULJ-UHFFFAOYSA-N
MW341.94 g/mol
LogP1.66
Rot. Bonds4

About 2,3-dibromo-2-(5-nitrofuran-2-yl)propanamide

2,3-dibromo-2-(5-nitrofuran-2-yl)propanamide (PubChem CID 21121874) has the molecular formula C7H6Br2N2O4 and a molecular weight of 341.94 g/mol. Its IUPAC name is 2,3-dibromo-2-(5-nitrofuran-2-yl)propanamide.

Molecular Properties

Compound Name2,3-dibromo-2-(5-nitrofuran-2-yl)propanamide
PubChem CID21121874
Molecular FormulaC7H6Br2N2O4
Molecular Weight341.94 g/mol
Exact Mass339.87
IUPAC Name2,3-dibromo-2-(5-nitrofuran-2-yl)propanamide
SMILESNC(=O)C(Br)(CBr)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C7H6Br2N2O4/c8-3-7(9,6(10)12)4-1-2-5(15-4)11(13)14/h1-2H,3H2,(H2,10,12)
InChIKeyGOPXSZCHAZJULJ-UHFFFAOYSA-N
XLogP1.66
TPSA99.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.94
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-bromo-1-(5-nitrofuran-2-yl)ethanone
CID 11241786
2-(1,1-difluoroethyl)-5-nitrofuran
CID 119098179
[(5-nitrofuran-2-yl)amino]urea
CID 175171199
bis[(5-nitrofuran-2-yl)methyl] carbonate
CID 175203098
N-[2-(bromomethyl)-2-ethylbutyl]-5-nitrofuran-2-carboxamide
CID 106255029
(5-nitrofuran-2-yl)methanamine
CID 13211642
[3-(5-nitrofuran-2-carbonyl)oxy-2-oxopropyl] 5-nitrofuran-2-carboxylate
CID 2406638
(1R)-3,3,3-trifluoro-1-(5-nitrofuran-2-yl)propan-1-amine
CID 171198348
5-nitrofuran-2-carboxylic acid;hydrochloride
CID 67281310
bis(5-nitrofuran-2-carboxylate);oxygen(2-);vanadium(4+)
CID 71731103
2-(1-bromoethenyl)-5-nitrofuran
CID 151316917
2-(2-carbamoylhydrazinyl)-3-(5-nitrofuran-2-yl)prop-2-enoic acid
CID 20981860

Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-2-(5-nitrofuran-2-yl)propanamide?
The IUPAC name of 2,3-dibromo-2-(5-nitrofuran-2-yl)propanamide (CID 21121874) is 2,3-dibromo-2-(5-nitrofuran-2-yl)propanamide.
What is the SMILES notation for 2,3-dibromo-2-(5-nitrofuran-2-yl)propanamide?
The canonical SMILES for 2,3-dibromo-2-(5-nitrofuran-2-yl)propanamide is NC(=O)C(Br)(CBr)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of 2,3-dibromo-2-(5-nitrofuran-2-yl)propanamide?
The InChIKey is GOPXSZCHAZJULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Br2N2O4/c8-3-7(9,6(10)12)4-1-2-5(15-4)11(13)14/h1-2H,3H2,(H2,10,12).
What are the key properties of 2,3-dibromo-2-(5-nitrofuran-2-yl)propanamide?
2,3-dibromo-2-(5-nitrofuran-2-yl)propanamide has a molecular weight of 341.94 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-2-(5-nitrofuran-2-yl)propanamide is sourced from PubChem (CID 21121874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).