2-(2-oxo-1-pyridinyl)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide

C15H19F3N2O3 — CID 42957237

IUPAC2-(2-oxo-1-pyridinyl)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide
SMILESO=C(Cn1ccccc1=O)NC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C15H19F3N2O3/c16-15(17,18)10-23-12-5-3-4-11(8-12)19-13(21)9-20-7-2-1-6-14(20)22/h1-2,6-7,11-12H,3-5,8-10H2,(H,19,21)
InChIKeyIOFQUMXCCDDHKN-UHFFFAOYSA-N
MW332.32 g/mol
LogP1.85
Rot. Bonds5

About 2-(2-oxo-1-pyridinyl)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide

2-(2-oxo-1-pyridinyl)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide (PubChem CID 42957237) has the molecular formula C15H19F3N2O3 and a molecular weight of 332.32 g/mol. Its IUPAC name is 2-(2-oxo-1-pyridinyl)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(2-oxo-1-pyridinyl)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide
PubChem CID42957237
Molecular FormulaC15H19F3N2O3
Molecular Weight332.32 g/mol
Exact Mass332.13
IUPAC Name2-(2-oxo-1-pyridinyl)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide
SMILESO=C(Cn1ccccc1=O)NC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C15H19F3N2O3/c16-15(17,18)10-23-12-5-3-4-11(8-12)19-13(21)9-20-7-2-1-6-14(20)22/h1-2,6-7,11-12H,3-5,8-10H2,(H,19,21)
InChIKeyIOFQUMXCCDDHKN-UHFFFAOYSA-N
XLogP1.85
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1-pyridinyl)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide?
The IUPAC name of 2-(2-oxo-1-pyridinyl)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide (CID 42957237) is 2-(2-oxo-1-pyridinyl)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide.
What is the SMILES notation for 2-(2-oxo-1-pyridinyl)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide?
The canonical SMILES for 2-(2-oxo-1-pyridinyl)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide is O=C(Cn1ccccc1=O)NC1CCCC(OCC(F)(F)F)C1.
What is the InChIKey of 2-(2-oxo-1-pyridinyl)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide?
The InChIKey is IOFQUMXCCDDHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O3/c16-15(17,18)10-23-12-5-3-4-11(8-12)19-13(21)9-20-7-2-1-6-14(20)22/h1-2,6-7,11-12H,3-5,8-10H2,(H,19,21).
What are the key properties of 2-(2-oxo-1-pyridinyl)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide?
2-(2-oxo-1-pyridinyl)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide has a molecular weight of 332.32 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1-pyridinyl)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide is sourced from PubChem (CID 42957237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).