3-bromo-N-(2-chloro-4-cyanophenyl)thiophene-2-carboxamide

C12H6BrClN2OS — CID 103799691

IUPAC3-bromo-N-(2-chloro-4-cyanophenyl)thiophene-2-carboxamide
SMILESN#Cc1ccc(NC(=O)c2sccc2Br)c(Cl)c1
InChIInChI=1S/C12H6BrClN2OS/c13-8-3-4-18-11(8)12(17)16-10-2-1-7(6-15)5-9(10)14/h1-5H,(H,16,17)
InChIKeyZTZUYZYCNNRJTG-UHFFFAOYSA-N
MW341.62 g/mol
LogP4.29
Rot. Bonds2

About 3-bromo-N-(2-chloro-4-cyanophenyl)thiophene-2-carboxamide

3-bromo-N-(2-chloro-4-cyanophenyl)thiophene-2-carboxamide (PubChem CID 103799691) has the molecular formula C12H6BrClN2OS and a molecular weight of 341.62 g/mol. Its IUPAC name is 3-bromo-N-(2-chloro-4-cyanophenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(2-chloro-4-cyanophenyl)thiophene-2-carboxamide
PubChem CID103799691
Molecular FormulaC12H6BrClN2OS
Molecular Weight341.62 g/mol
Exact Mass339.91
IUPAC Name3-bromo-N-(2-chloro-4-cyanophenyl)thiophene-2-carboxamide
SMILESN#Cc1ccc(NC(=O)c2sccc2Br)c(Cl)c1
InChIInChI=1S/C12H6BrClN2OS/c13-8-3-4-18-11(8)12(17)16-10-2-1-7(6-15)5-9(10)14/h1-5H,(H,16,17)
InChIKeyZTZUYZYCNNRJTG-UHFFFAOYSA-N
XLogP4.29
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.62
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(2-bromo-4-cyanophenyl)thiophene-2-carboxamide
CID 114002425
3-(3-aminoprop-1-ynyl)-N-(2-chloro-4-cyanophenyl)thiophene-2-carboxamide
CID 107809730
4,5-dibromo-N-(2-chloro-4-cyanophenyl)thiophene-2-carboxamide
CID 103811052
3-bromo-N-(4-bromo-2-cyanophenyl)thiophene-2-carboxamide
CID 81498968
3-chloro-N-(5-cyano-2-methylphenyl)thiophene-2-carboxamide
CID 80644972
3-bromo-N-[2-chloro-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]thiophene-2-carboxamide
CID 107809860
3-bromo-N-(2-cyanophenyl)thiophene-2-carboxamide
CID 63172712
4-chloro-N-(2-chloro-4-cyanophenyl)benzamide
CID 103799745
3-bromo-N-(2-bromo-5-chloro-4-methylphenyl)thiophene-2-carboxamide
CID 104723934
3-bromo-N-[2-chloro-5-(methylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 60794257
N-(2-chloro-4-cyanophenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 103799721
N-(2-chloro-4-cyanophenyl)-1-benzothiophene-3-carboxamide
CID 103811101

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-chloro-4-cyanophenyl)thiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-(2-chloro-4-cyanophenyl)thiophene-2-carboxamide (CID 103799691) is 3-bromo-N-(2-chloro-4-cyanophenyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(2-chloro-4-cyanophenyl)thiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-(2-chloro-4-cyanophenyl)thiophene-2-carboxamide is N#Cc1ccc(NC(=O)c2sccc2Br)c(Cl)c1.
What is the InChIKey of 3-bromo-N-(2-chloro-4-cyanophenyl)thiophene-2-carboxamide?
The InChIKey is ZTZUYZYCNNRJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrClN2OS/c13-8-3-4-18-11(8)12(17)16-10-2-1-7(6-15)5-9(10)14/h1-5H,(H,16,17).
What are the key properties of 3-bromo-N-(2-chloro-4-cyanophenyl)thiophene-2-carboxamide?
3-bromo-N-(2-chloro-4-cyanophenyl)thiophene-2-carboxamide has a molecular weight of 341.62 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-chloro-4-cyanophenyl)thiophene-2-carboxamide is sourced from PubChem (CID 103799691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).