2,5-dibromo-N-(5-fluoro-2-nitrophenyl)thiophene-3-carboxamide

C11H5Br2FN2O3S — CID 107962304

IUPAC2,5-dibromo-N-(5-fluoro-2-nitrophenyl)thiophene-3-carboxamide
SMILESO=C(Nc1cc(F)ccc1[N+](=O)[O-])c1cc(Br)sc1Br
InChIInChI=1S/C11H5Br2FN2O3S/c12-9-4-6(10(13)20-9)11(17)15-7-3-5(14)1-2-8(7)16(18)19/h1-4H,(H,15,17)
InChIKeyKPJVDZJATCRHBZ-UHFFFAOYSA-N
MW424.05 g/mol
LogP4.57
Rot. Bonds3

About 2,5-dibromo-N-(5-fluoro-2-nitrophenyl)thiophene-3-carboxamide

2,5-dibromo-N-(5-fluoro-2-nitrophenyl)thiophene-3-carboxamide (PubChem CID 107962304) has the molecular formula C11H5Br2FN2O3S and a molecular weight of 424.05 g/mol. Its IUPAC name is 2,5-dibromo-N-(5-fluoro-2-nitrophenyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dibromo-N-(5-fluoro-2-nitrophenyl)thiophene-3-carboxamide
PubChem CID107962304
Molecular FormulaC11H5Br2FN2O3S
Molecular Weight424.05 g/mol
Exact Mass421.84
IUPAC Name2,5-dibromo-N-(5-fluoro-2-nitrophenyl)thiophene-3-carboxamide
SMILESO=C(Nc1cc(F)ccc1[N+](=O)[O-])c1cc(Br)sc1Br
InChIInChI=1S/C11H5Br2FN2O3S/c12-9-4-6(10(13)20-9)11(17)15-7-3-5(14)1-2-8(7)16(18)19/h1-4H,(H,15,17)
InChIKeyKPJVDZJATCRHBZ-UHFFFAOYSA-N
XLogP4.57
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.05
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2,5-dibromo-N-(2,4-difluoro-6-nitrophenyl)thiophene-3-carboxamide
CID 107962301
3-bromo-2-fluoro-N-(5-fluoro-2-nitrophenyl)benzamide
CID 107952917
2-bromo-N-(5-chloro-2-nitrophenyl)-4-fluorobenzamide
CID 60955297
3-bromo-4-fluoro-N-(5-fluoro-2-nitrophenyl)benzamide
CID 107952918
2-bromo-5-fluoro-N-(2-nitrophenyl)benzamide
CID 60667245
2,6-dichloro-N-(5-fluoro-2-nitrophenyl)pyridine-3-carboxamide
CID 106994147
1-(5-fluoro-2-nitrophenyl)-3-propan-2-ylurea
CID 116656949
2,5-dibromo-N-(4-cyano-2-fluorophenyl)thiophene-3-carboxamide
CID 103820442
N-(5-fluoro-2-nitrophenyl)pyridine-2-carboxamide
CID 110461612
N-(5-fluoro-2-nitrophenyl)-3-hydroxybenzamide
CID 110462704
2-amino-4-fluoro-N-(5-methyl-2-nitrophenyl)benzamide
CID 115912695
5-amino-N-(2-bromo-4-fluorophenyl)-2-nitrobenzamide
CID 62156280

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(5-fluoro-2-nitrophenyl)thiophene-3-carboxamide?
The IUPAC name of 2,5-dibromo-N-(5-fluoro-2-nitrophenyl)thiophene-3-carboxamide (CID 107962304) is 2,5-dibromo-N-(5-fluoro-2-nitrophenyl)thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dibromo-N-(5-fluoro-2-nitrophenyl)thiophene-3-carboxamide?
The canonical SMILES for 2,5-dibromo-N-(5-fluoro-2-nitrophenyl)thiophene-3-carboxamide is O=C(Nc1cc(F)ccc1[N+](=O)[O-])c1cc(Br)sc1Br.
What is the InChIKey of 2,5-dibromo-N-(5-fluoro-2-nitrophenyl)thiophene-3-carboxamide?
The InChIKey is KPJVDZJATCRHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Br2FN2O3S/c12-9-4-6(10(13)20-9)11(17)15-7-3-5(14)1-2-8(7)16(18)19/h1-4H,(H,15,17).
What are the key properties of 2,5-dibromo-N-(5-fluoro-2-nitrophenyl)thiophene-3-carboxamide?
2,5-dibromo-N-(5-fluoro-2-nitrophenyl)thiophene-3-carboxamide has a molecular weight of 424.05 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(5-fluoro-2-nitrophenyl)thiophene-3-carboxamide is sourced from PubChem (CID 107962304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).