3-chloro-N-[1-(2,2-difluoroethyl)-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide

C13H8ClF5N2O2S — CID 146323152

IUPAC3-chloro-N-[1-(2,2-difluoroethyl)-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc(=O)n(CC(F)F)c1)c1sc(C(F)(F)F)cc1Cl
InChIInChI=1S/C13H8ClF5N2O2S/c14-7-3-8(13(17,18)19)24-11(7)12(23)20-6-1-2-10(22)21(4-6)5-9(15)16/h1-4,9H,5H2,(H,20,23)
InChIKeyDIFQORNXORMZNL-UHFFFAOYSA-N
MW386.73 g/mol
LogP4.10
Rot. Bonds4

About 3-chloro-N-[1-(2,2-difluoroethyl)-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide

3-chloro-N-[1-(2,2-difluoroethyl)-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide (PubChem CID 146323152) has the molecular formula C13H8ClF5N2O2S and a molecular weight of 386.73 g/mol. Its IUPAC name is 3-chloro-N-[1-(2,2-difluoroethyl)-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[1-(2,2-difluoroethyl)-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide
PubChem CID146323152
Molecular FormulaC13H8ClF5N2O2S
Molecular Weight386.73 g/mol
Exact Mass385.99
IUPAC Name3-chloro-N-[1-(2,2-difluoroethyl)-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc(=O)n(CC(F)F)c1)c1sc(C(F)(F)F)cc1Cl
InChIInChI=1S/C13H8ClF5N2O2S/c14-7-3-8(13(17,18)19)24-11(7)12(23)20-6-1-2-10(22)21(4-6)5-9(15)16/h1-4,9H,5H2,(H,20,23)
InChIKeyDIFQORNXORMZNL-UHFFFAOYSA-N
XLogP4.10
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.73
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-5-methylthiophene-2-carboxamide
CID 89833729
4-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxopyridin-3-yl]-5-(trifluoromethyl)thiophene-2-carboxamide
CID 146309466
4-chloro-N-[5-chloro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-5-cyanothiophene-2-carboxamide
CID 146309489
5-(difluoromethyl)-4-fluoro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]thiophene-2-carboxamide
CID 146323119
N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-(difluoromethyl)-4-fluorothiophene-2-carboxamide
CID 146323120
4-[2-(4-carbamoylphenyl)ethynyl]-5-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]thiophene-2-carboxamide
CID 146323141
4-chloro-N-[5-cyano-1-(2,2-difluoroethyl)-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide
CID 146323161
4,5-dichloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]thiophene-2-carboxamide
CID 146323174
3-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide
CID 146323175
4-chloro-N-[1-(2,2-difluoroethyl)-5-methyl-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide
CID 146323177
N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4-methyl-5-(trifluoromethyl)thiophene-2-carboxamide
CID 146323179
4-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxopyridin-3-yl]-5-[2-(1-methylpiperidin-3-yl)ethynyl]thiophene-2-carboxamide
CID 146323180

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(2,2-difluoroethyl)-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[1-(2,2-difluoroethyl)-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide (CID 146323152) is 3-chloro-N-[1-(2,2-difluoroethyl)-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[1-(2,2-difluoroethyl)-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[1-(2,2-difluoroethyl)-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide is O=C(Nc1ccc(=O)n(CC(F)F)c1)c1sc(C(F)(F)F)cc1Cl.
What is the InChIKey of 3-chloro-N-[1-(2,2-difluoroethyl)-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide?
The InChIKey is DIFQORNXORMZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF5N2O2S/c14-7-3-8(13(17,18)19)24-11(7)12(23)20-6-1-2-10(22)21(4-6)5-9(15)16/h1-4,9H,5H2,(H,20,23).
What are the key properties of 3-chloro-N-[1-(2,2-difluoroethyl)-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide?
3-chloro-N-[1-(2,2-difluoroethyl)-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide has a molecular weight of 386.73 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(2,2-difluoroethyl)-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide is sourced from PubChem (CID 146323152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).