4-chloro-N-[5-fluoro-1-(1-fluoropropan-2-yl)-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide

C14H10ClF5N2O2S — CID 146323302

IUPAC4-chloro-N-[5-fluoro-1-(1-fluoropropan-2-yl)-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide
SMILESCC(CF)n1cc(NC(=O)c2cc(Cl)c(C(F)(F)F)s2)cc(F)c1=O
InChIInChI=1S/C14H10ClF5N2O2S/c1-6(4-16)22-5-7(2-9(17)13(22)24)21-12(23)10-3-8(15)11(25-10)14(18,19)20/h2-3,5-6H,4H2,1H3,(H,21,23)
InChIKeyGQYUOVSUAYMADQ-UHFFFAOYSA-N
MW400.76 g/mol
LogP4.50
Rot. Bonds4

About 4-chloro-N-[5-fluoro-1-(1-fluoropropan-2-yl)-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide

4-chloro-N-[5-fluoro-1-(1-fluoropropan-2-yl)-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide (PubChem CID 146323302) has the molecular formula C14H10ClF5N2O2S and a molecular weight of 400.76 g/mol. Its IUPAC name is 4-chloro-N-[5-fluoro-1-(1-fluoropropan-2-yl)-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[5-fluoro-1-(1-fluoropropan-2-yl)-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide
PubChem CID146323302
Molecular FormulaC14H10ClF5N2O2S
Molecular Weight400.76 g/mol
Exact Mass400.01
IUPAC Name4-chloro-N-[5-fluoro-1-(1-fluoropropan-2-yl)-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide
SMILESCC(CF)n1cc(NC(=O)c2cc(Cl)c(C(F)(F)F)s2)cc(F)c1=O
InChIInChI=1S/C14H10ClF5N2O2S/c1-6(4-16)22-5-7(2-9(17)13(22)24)21-12(23)10-3-8(15)11(25-10)14(18,19)20/h2-3,5-6H,4H2,1H3,(H,21,23)
InChIKeyGQYUOVSUAYMADQ-UHFFFAOYSA-N
XLogP4.50
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.76
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-N-[5-fluoro-1-(1-fluoropropan-2-yl)-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide with MolForge

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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
3-chloro-N-[1-(2,2-difluoroethyl)-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide
CID 146323152
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 4-chloro-N-[5-fluoro-1-(1-fluoropropan-2-yl)-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide?
The IUPAC name of 4-chloro-N-[5-fluoro-1-(1-fluoropropan-2-yl)-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide (CID 146323302) is 4-chloro-N-[5-fluoro-1-(1-fluoropropan-2-yl)-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[5-fluoro-1-(1-fluoropropan-2-yl)-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide?
The canonical SMILES for 4-chloro-N-[5-fluoro-1-(1-fluoropropan-2-yl)-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide is CC(CF)n1cc(NC(=O)c2cc(Cl)c(C(F)(F)F)s2)cc(F)c1=O.
What is the InChIKey of 4-chloro-N-[5-fluoro-1-(1-fluoropropan-2-yl)-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide?
The InChIKey is GQYUOVSUAYMADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF5N2O2S/c1-6(4-16)22-5-7(2-9(17)13(22)24)21-12(23)10-3-8(15)11(25-10)14(18,19)20/h2-3,5-6H,4H2,1H3,(H,21,23).
What are the key properties of 4-chloro-N-[5-fluoro-1-(1-fluoropropan-2-yl)-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide?
4-chloro-N-[5-fluoro-1-(1-fluoropropan-2-yl)-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide has a molecular weight of 400.76 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-fluoro-1-(1-fluoropropan-2-yl)-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide is sourced from PubChem (CID 146323302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).