N-(2,5-dibromo-4-nitrophenyl)acetamide

C8H6Br2N2O3 — CID 11325213

IUPACN-(2,5-dibromo-4-nitrophenyl)acetamide
SMILESCC(=O)Nc1cc(Br)c([N+](=O)[O-])cc1Br
InChIInChI=1S/C8H6Br2N2O3/c1-4(13)11-7-2-6(10)8(12(14)15)3-5(7)9/h2-3H,1H3,(H,11,13)
InChIKeyILNOMFYNTJKSAM-UHFFFAOYSA-N
MW337.96 g/mol
LogP3.08
Rot. Bonds2

About N-(2,5-dibromo-4-nitrophenyl)acetamide

N-(2,5-dibromo-4-nitrophenyl)acetamide (PubChem CID 11325213) has the molecular formula C8H6Br2N2O3 and a molecular weight of 337.96 g/mol. Its IUPAC name is N-(2,5-dibromo-4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(2,5-dibromo-4-nitrophenyl)acetamide
PubChem CID11325213
Molecular FormulaC8H6Br2N2O3
Molecular Weight337.96 g/mol
Exact Mass335.87
IUPAC NameN-(2,5-dibromo-4-nitrophenyl)acetamide
SMILESCC(=O)Nc1cc(Br)c([N+](=O)[O-])cc1Br
InChIInChI=1S/C8H6Br2N2O3/c1-4(13)11-7-2-6(10)8(12(14)15)3-5(7)9/h2-3H,1H3,(H,11,13)
InChIKeyILNOMFYNTJKSAM-UHFFFAOYSA-N
XLogP3.08
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.96
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-bromo-2-methoxy-4-nitrophenyl)acetamide
CID 71409389
(2,5-dibromo-4-nitrophenyl)thiourea
CID 87096125
2-(2,5-dibromo-4-nitroanilino)ethene-1,1,2-tricarbonitrile
CID 168609602
2-cyano-N-(2,5-dibromo-4-nitrophenyl)acetamide
CID 168523210
methyl 5-acetamido-2-bromo-4-nitrobenzoate
CID 169494735
1-bromo-2,4,5-trinitrobenzene
CID 13333986
N-(2-bromo-3-nitrophenyl)acetamide
CID 68518148
N-(2,3-dimethyl-4-nitrophenyl)acetamide
CID 2931975
2-[(2,5-dibromo-4-nitrophenyl)hydrazinylidene]propanedinitrile
CID 169340812
N-(2,3,4-trifluoro-5-nitrophenyl)acetamide
CID 156686573
2-bromo-5-nitroaniline;N-(2-bromo-5-nitrophenyl)acetamide
CID 87757887
4-bromo-1-fluoro-2-nitrobenzene;N-(5-bromo-2-fluorophenyl)acetamide
CID 159218449

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dibromo-4-nitrophenyl)acetamide?
The IUPAC name of N-(2,5-dibromo-4-nitrophenyl)acetamide (CID 11325213) is N-(2,5-dibromo-4-nitrophenyl)acetamide.
What is the SMILES notation for N-(2,5-dibromo-4-nitrophenyl)acetamide?
The canonical SMILES for N-(2,5-dibromo-4-nitrophenyl)acetamide is CC(=O)Nc1cc(Br)c([N+](=O)[O-])cc1Br.
What is the InChIKey of N-(2,5-dibromo-4-nitrophenyl)acetamide?
The InChIKey is ILNOMFYNTJKSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Br2N2O3/c1-4(13)11-7-2-6(10)8(12(14)15)3-5(7)9/h2-3H,1H3,(H,11,13).
What are the key properties of N-(2,5-dibromo-4-nitrophenyl)acetamide?
N-(2,5-dibromo-4-nitrophenyl)acetamide has a molecular weight of 337.96 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dibromo-4-nitrophenyl)acetamide is sourced from PubChem (CID 11325213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).