2,5-dibromo-N-(2,4-difluoro-6-nitrophenyl)thiophene-3-carboxamide

C11H4Br2F2N2O3S — CID 107962301

IUPAC2,5-dibromo-N-(2,4-difluoro-6-nitrophenyl)thiophene-3-carboxamide
SMILESO=C(Nc1c(F)cc(F)cc1[N+](=O)[O-])c1cc(Br)sc1Br
InChIInChI=1S/C11H4Br2F2N2O3S/c12-8-3-5(10(13)21-8)11(18)16-9-6(15)1-4(14)2-7(9)17(19)20/h1-3H,(H,16,18)
InChIKeyNLNGQZIIOFNSCH-UHFFFAOYSA-N
MW442.04 g/mol
LogP4.71
Rot. Bonds3

About 2,5-dibromo-N-(2,4-difluoro-6-nitrophenyl)thiophene-3-carboxamide

2,5-dibromo-N-(2,4-difluoro-6-nitrophenyl)thiophene-3-carboxamide (PubChem CID 107962301) has the molecular formula C11H4Br2F2N2O3S and a molecular weight of 442.04 g/mol. Its IUPAC name is 2,5-dibromo-N-(2,4-difluoro-6-nitrophenyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dibromo-N-(2,4-difluoro-6-nitrophenyl)thiophene-3-carboxamide
PubChem CID107962301
Molecular FormulaC11H4Br2F2N2O3S
Molecular Weight442.04 g/mol
Exact Mass439.83
IUPAC Name2,5-dibromo-N-(2,4-difluoro-6-nitrophenyl)thiophene-3-carboxamide
SMILESO=C(Nc1c(F)cc(F)cc1[N+](=O)[O-])c1cc(Br)sc1Br
InChIInChI=1S/C11H4Br2F2N2O3S/c12-8-3-5(10(13)21-8)11(18)16-9-6(15)1-4(14)2-7(9)17(19)20/h1-3H,(H,16,18)
InChIKeyNLNGQZIIOFNSCH-UHFFFAOYSA-N
XLogP4.71
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.04
LogP ≤ 54.71
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-(5-fluoro-2-nitrophenyl)thiophene-3-carboxamide
CID 107962304
N-(2,4-difluoro-6-nitrophenyl)-3-fluoropyridine-4-carboxamide
CID 105066591
6-bromo-N-(2,4-difluoro-6-nitrophenyl)pyridine-3-carboxamide
CID 81306494
N-(2,4-difluoro-6-nitrophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 81311633
N-(2,4-difluoro-6-nitrophenyl)-2,2,2-trifluoroacetamide
CID 81313213
2-amino-N-(2,4-difluoro-6-nitrophenyl)-2-methylpropanamide
CID 81309738
2-amino-N-(2,4-difluoro-6-nitrophenyl)acetamide
CID 81310994
2-bromo-N-(2,4-difluoro-6-nitrophenyl)-3-methylbutanamide
CID 81309901
4-amino-N-(2,4-difluoro-6-nitrophenyl)-1,2,5-oxadiazole-3-carboxamide
CID 81310187
2-cyano-N-(2,4-difluoro-6-nitrophenyl)acetamide
CID 83298314
2,5-dibromo-N-(2,6-dibromo-4-methylphenyl)thiophene-3-carboxamide
CID 114021285
2-hydroxyethyl N-(2,4-difluoro-6-nitrophenyl)carbamate
CID 81312067

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(2,4-difluoro-6-nitrophenyl)thiophene-3-carboxamide?
The IUPAC name of 2,5-dibromo-N-(2,4-difluoro-6-nitrophenyl)thiophene-3-carboxamide (CID 107962301) is 2,5-dibromo-N-(2,4-difluoro-6-nitrophenyl)thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dibromo-N-(2,4-difluoro-6-nitrophenyl)thiophene-3-carboxamide?
The canonical SMILES for 2,5-dibromo-N-(2,4-difluoro-6-nitrophenyl)thiophene-3-carboxamide is O=C(Nc1c(F)cc(F)cc1[N+](=O)[O-])c1cc(Br)sc1Br.
What is the InChIKey of 2,5-dibromo-N-(2,4-difluoro-6-nitrophenyl)thiophene-3-carboxamide?
The InChIKey is NLNGQZIIOFNSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4Br2F2N2O3S/c12-8-3-5(10(13)21-8)11(18)16-9-6(15)1-4(14)2-7(9)17(19)20/h1-3H,(H,16,18).
What are the key properties of 2,5-dibromo-N-(2,4-difluoro-6-nitrophenyl)thiophene-3-carboxamide?
2,5-dibromo-N-(2,4-difluoro-6-nitrophenyl)thiophene-3-carboxamide has a molecular weight of 442.04 g/mol, XLogP of 4.71, 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-(2,4-difluoro-6-nitrophenyl)thiophene-3-carboxamide is sourced from PubChem (CID 107962301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).