4,5-dibromo-N-(2-chloro-4-cyanophenyl)thiophene-2-carboxamide

C12H5Br2ClN2OS — CID 103811052

IUPAC4,5-dibromo-N-(2-chloro-4-cyanophenyl)thiophene-2-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cc(Br)c(Br)s2)c(Cl)c1
InChIInChI=1S/C12H5Br2ClN2OS/c13-7-4-10(19-11(7)14)12(18)17-9-2-1-6(5-16)3-8(9)15/h1-4H,(H,17,18)
InChIKeyUIPFPNBJLLQLPJ-UHFFFAOYSA-N
MW420.51 g/mol
LogP5.05
Rot. Bonds2

About 4,5-dibromo-N-(2-chloro-4-cyanophenyl)thiophene-2-carboxamide

4,5-dibromo-N-(2-chloro-4-cyanophenyl)thiophene-2-carboxamide (PubChem CID 103811052) has the molecular formula C12H5Br2ClN2OS and a molecular weight of 420.51 g/mol. Its IUPAC name is 4,5-dibromo-N-(2-chloro-4-cyanophenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-(2-chloro-4-cyanophenyl)thiophene-2-carboxamide
PubChem CID103811052
Molecular FormulaC12H5Br2ClN2OS
Molecular Weight420.51 g/mol
Exact Mass417.82
IUPAC Name4,5-dibromo-N-(2-chloro-4-cyanophenyl)thiophene-2-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cc(Br)c(Br)s2)c(Cl)c1
InChIInChI=1S/C12H5Br2ClN2OS/c13-7-4-10(19-11(7)14)12(18)17-9-2-1-6(5-16)3-8(9)15/h1-4H,(H,17,18)
InChIKeyUIPFPNBJLLQLPJ-UHFFFAOYSA-N
XLogP5.05
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.51
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-amino-2-cyanophenyl)-4,5-dibromothiophene-2-carboxamide
CID 80537159
3-bromo-N-(2-chloro-4-cyanophenyl)thiophene-2-carboxamide
CID 103799691
4,5-dibromo-N-(5-cyano-2-pyridinyl)thiophene-2-carboxamide
CID 78931923
4-chloro-N-(2-chloro-4-cyanophenyl)benzamide
CID 103799745
2,5-dichloro-N-(2-chloro-4-cyanophenyl)benzamide
CID 103799731
N-(2-chloro-4-cyanophenyl)-2,6-dihydroxybenzamide
CID 107808194
4,5-dibromo-N-(5-carbamoyl-2-chlorophenyl)thiophene-2-carboxamide
CID 78954012
N-(2-chloro-4-cyanophenyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 103799723
5-chloro-N-(2-chloro-4-cyanophenyl)pyridine-2-carboxamide
CID 103811024
4,5-dibromo-N-(2-chloro-5-sulfamoylphenyl)thiophene-2-carboxamide
CID 80534332
4,5-dibromo-N-[1-(4-cyanophenyl)ethyl]thiophene-2-carboxamide
CID 47161738
N-(2-chloro-4-cyanophenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 103799721

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-(2-chloro-4-cyanophenyl)thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-(2-chloro-4-cyanophenyl)thiophene-2-carboxamide (CID 103811052) is 4,5-dibromo-N-(2-chloro-4-cyanophenyl)thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-(2-chloro-4-cyanophenyl)thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-(2-chloro-4-cyanophenyl)thiophene-2-carboxamide is N#Cc1ccc(NC(=O)c2cc(Br)c(Br)s2)c(Cl)c1.
What is the InChIKey of 4,5-dibromo-N-(2-chloro-4-cyanophenyl)thiophene-2-carboxamide?
The InChIKey is UIPFPNBJLLQLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Br2ClN2OS/c13-7-4-10(19-11(7)14)12(18)17-9-2-1-6(5-16)3-8(9)15/h1-4H,(H,17,18).
What are the key properties of 4,5-dibromo-N-(2-chloro-4-cyanophenyl)thiophene-2-carboxamide?
4,5-dibromo-N-(2-chloro-4-cyanophenyl)thiophene-2-carboxamide has a molecular weight of 420.51 g/mol, XLogP of 5.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-(2-chloro-4-cyanophenyl)thiophene-2-carboxamide is sourced from PubChem (CID 103811052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).