2,5-dibromo-N-(4-cyano-2-fluorophenyl)thiophene-3-carboxamide

C12H5Br2FN2OS — CID 103820442

IUPAC2,5-dibromo-N-(4-cyano-2-fluorophenyl)thiophene-3-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cc(Br)sc2Br)c(F)c1
InChIInChI=1S/C12H5Br2FN2OS/c13-10-4-7(11(14)19-10)12(18)17-9-2-1-6(5-16)3-8(9)15/h1-4H,(H,17,18)
InChIKeyUPNLVTXNCLMIFO-UHFFFAOYSA-N
MW404.06 g/mol
LogP4.54
Rot. Bonds2

About 2,5-dibromo-N-(4-cyano-2-fluorophenyl)thiophene-3-carboxamide

2,5-dibromo-N-(4-cyano-2-fluorophenyl)thiophene-3-carboxamide (PubChem CID 103820442) has the molecular formula C12H5Br2FN2OS and a molecular weight of 404.06 g/mol. Its IUPAC name is 2,5-dibromo-N-(4-cyano-2-fluorophenyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dibromo-N-(4-cyano-2-fluorophenyl)thiophene-3-carboxamide
PubChem CID103820442
Molecular FormulaC12H5Br2FN2OS
Molecular Weight404.06 g/mol
Exact Mass401.85
IUPAC Name2,5-dibromo-N-(4-cyano-2-fluorophenyl)thiophene-3-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cc(Br)sc2Br)c(F)c1
InChIInChI=1S/C12H5Br2FN2OS/c13-10-4-7(11(14)19-10)12(18)17-9-2-1-6(5-16)3-8(9)15/h1-4H,(H,17,18)
InChIKeyUPNLVTXNCLMIFO-UHFFFAOYSA-N
XLogP4.54
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.06
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(4-cyano-2-fluorophenyl)-2-iodobenzamide
CID 103820409
4-bromo-N-(4-cyano-2-fluorophenyl)-2-sulfanylbenzamide
CID 107033218
2,5-dibromo-N-(2-fluoro-4-sulfamoylphenyl)thiophene-3-carboxamide
CID 107965284
5-chloro-N-(4-cyano-2-fluorophenyl)-2-methylbenzamide
CID 115532718
N-(4-cyano-2-fluorophenyl)acetamide
CID 11344323
3-amino-2-chloro-N-(4-cyano-2-fluorophenyl)benzamide
CID 115930631
N-(4-cyano-2-fluorophenyl)-4-sulfanylthiophene-2-carboxamide
CID 107033219
2,5-dibromo-N-(2,4-dichlorophenyl)thiophene-3-carboxamide
CID 113237204
2,5-dibromo-N-(4-chloro-2-iodophenyl)thiophene-3-carboxamide
CID 107961994
N-(4-cyano-2-fluorophenyl)-2,6-dihydroxybenzamide
CID 107688649
3-bromo-N-(4-cyano-2-fluorophenyl)-5-methylbenzamide
CID 104851539
2-bromo-N-(4-cyano-2-fluorophenyl)-2-methylpropanamide
CID 114328975

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(4-cyano-2-fluorophenyl)thiophene-3-carboxamide?
The IUPAC name of 2,5-dibromo-N-(4-cyano-2-fluorophenyl)thiophene-3-carboxamide (CID 103820442) is 2,5-dibromo-N-(4-cyano-2-fluorophenyl)thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dibromo-N-(4-cyano-2-fluorophenyl)thiophene-3-carboxamide?
The canonical SMILES for 2,5-dibromo-N-(4-cyano-2-fluorophenyl)thiophene-3-carboxamide is N#Cc1ccc(NC(=O)c2cc(Br)sc2Br)c(F)c1.
What is the InChIKey of 2,5-dibromo-N-(4-cyano-2-fluorophenyl)thiophene-3-carboxamide?
The InChIKey is UPNLVTXNCLMIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Br2FN2OS/c13-10-4-7(11(14)19-10)12(18)17-9-2-1-6(5-16)3-8(9)15/h1-4H,(H,17,18).
What are the key properties of 2,5-dibromo-N-(4-cyano-2-fluorophenyl)thiophene-3-carboxamide?
2,5-dibromo-N-(4-cyano-2-fluorophenyl)thiophene-3-carboxamide has a molecular weight of 404.06 g/mol, XLogP of 4.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(4-cyano-2-fluorophenyl)thiophene-3-carboxamide is sourced from PubChem (CID 103820442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).