2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide

C14H14ClF3N2O3 — CID 133266609

IUPAC2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
SMILESO=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)N[C@@H]1C[C@H]2OCC[C@@H]12
InChIInChI=1S/C14H14ClF3N2O3/c15-9-3-7(14(16,17)18)5-20(13(9)22)6-12(21)19-10-4-11-8(10)1-2-23-11/h3,5,8,10-11H,1-2,4,6H2,(H,19,21)/t8-,10+,11+/m0/s1
InChIKeySUSMLCRFCLKXAA-JMJZKYOTSA-N
MW350.72 g/mol
LogP1.81
Rot. Bonds3

About 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide

2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide (PubChem CID 133266609) has the molecular formula C14H14ClF3N2O3 and a molecular weight of 350.72 g/mol. Its IUPAC name is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide.

Molecular Properties

Compound Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
PubChem CID133266609
Molecular FormulaC14H14ClF3N2O3
Molecular Weight350.72 g/mol
Exact Mass350.06
IUPAC Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
SMILESO=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)N[C@@H]1C[C@H]2OCC[C@@H]12
InChIInChI=1S/C14H14ClF3N2O3/c15-9-3-7(14(16,17)18)5-20(13(9)22)6-12(21)19-10-4-11-8(10)1-2-23-11/h3,5,8,10-11H,1-2,4,6H2,(H,19,21)/t8-,10+,11+/m0/s1
InChIKeySUSMLCRFCLKXAA-JMJZKYOTSA-N
XLogP1.81
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.72
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide with MolForge

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Related Compounds

N-tert-butyl-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 2587466
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 47035375
N-(6-chloro-1,3-benzodioxol-5-yl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 24566343
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide
CID 118793653
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2,4,6-trichlorophenyl)acetamide
CID 2445579
3-chloro-1-(2-oxopropyl)-5-(trifluoromethyl)pyridin-2-one
CID 8894290
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 2099437
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 16564739
N-(4-tert-butylphenyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 7183544
3-chloro-1-[2-[(2S)-2-cyclopentylpyrrolidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
CID 94637276
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 24566356
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-methyl-N-[[(2R)-oxan-2-yl]methyl]acetamide
CID 126445754

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide?
The IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide (CID 133266609) is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide.
What is the SMILES notation for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide?
The canonical SMILES for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide is O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)N[C@@H]1C[C@H]2OCC[C@@H]12.
What is the InChIKey of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide?
The InChIKey is SUSMLCRFCLKXAA-JMJZKYOTSA-N. The full InChI is InChI=1S/C14H14ClF3N2O3/c15-9-3-7(14(16,17)18)5-20(13(9)22)6-12(21)19-10-4-11-8(10)1-2-23-11/h3,5,8,10-11H,1-2,4,6H2,(H,19,21)/t8-,10+,11+/m0/s1.
What are the key properties of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide?
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide has a molecular weight of 350.72 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide is sourced from PubChem (CID 133266609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).