2,5-dichloro-N-(2,4-difluorophenyl)thiophene-3-carboxamide

C11H5Cl2F2NOS — CID 2805353

IUPAC2,5-dichloro-N-(2,4-difluorophenyl)thiophene-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H5Cl2F2NOS/c12-9-4-6(10(13)18-9)11(17)16-8-2-1-5(14)3-7(8)15/h1-4H,(H,16,17)
InChIKeyITBPGYBCPRGCBO-UHFFFAOYSA-N
MW308.14 g/mol
LogP4.59
Rot. Bonds2

About 2,5-dichloro-N-(2,4-difluorophenyl)thiophene-3-carboxamide

2,5-dichloro-N-(2,4-difluorophenyl)thiophene-3-carboxamide (PubChem CID 2805353) has the molecular formula C11H5Cl2F2NOS and a molecular weight of 308.14 g/mol. Its IUPAC name is 2,5-dichloro-N-(2,4-difluorophenyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-(2,4-difluorophenyl)thiophene-3-carboxamide
PubChem CID2805353
Molecular FormulaC11H5Cl2F2NOS
Molecular Weight308.14 g/mol
Exact Mass306.94
IUPAC Name2,5-dichloro-N-(2,4-difluorophenyl)thiophene-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H5Cl2F2NOS/c12-9-4-6(10(13)18-9)11(17)16-8-2-1-5(14)3-7(8)15/h1-4H,(H,16,17)
InChIKeyITBPGYBCPRGCBO-UHFFFAOYSA-N
XLogP4.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.14
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(2,4-difluorophenyl)thiophene-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-(2,4-difluorophenyl)thiophene-3-carboxamide (CID 2805353) is 2,5-dichloro-N-(2,4-difluorophenyl)thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-(2,4-difluorophenyl)thiophene-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-(2,4-difluorophenyl)thiophene-3-carboxamide is O=C(Nc1ccc(F)cc1F)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-(2,4-difluorophenyl)thiophene-3-carboxamide?
The InChIKey is ITBPGYBCPRGCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl2F2NOS/c12-9-4-6(10(13)18-9)11(17)16-8-2-1-5(14)3-7(8)15/h1-4H,(H,16,17).
What are the key properties of 2,5-dichloro-N-(2,4-difluorophenyl)thiophene-3-carboxamide?
2,5-dichloro-N-(2,4-difluorophenyl)thiophene-3-carboxamide has a molecular weight of 308.14 g/mol, XLogP of 4.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(2,4-difluorophenyl)thiophene-3-carboxamide is sourced from PubChem (CID 2805353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).