N-ethyl-N-(2-hydroxyethyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide

C12H15F3N2O3 — CID 78855387

IUPACN-ethyl-N-(2-hydroxyethyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCCN(CCO)C(=O)Cn1cccc(C(F)(F)F)c1=O
InChIInChI=1S/C12H15F3N2O3/c1-2-16(6-7-18)10(19)8-17-5-3-4-9(11(17)20)12(13,14)15/h3-5,18H,2,6-8H2,1H3
InChIKeyVVQYNNUVVOGVKO-UHFFFAOYSA-N
MW292.26 g/mol
LogP0.71
Rot. Bonds5

About N-ethyl-N-(2-hydroxyethyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide

N-ethyl-N-(2-hydroxyethyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 78855387) has the molecular formula C12H15F3N2O3 and a molecular weight of 292.26 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxyethyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxyethyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID78855387
Molecular FormulaC12H15F3N2O3
Molecular Weight292.26 g/mol
Exact Mass292.10
IUPAC NameN-ethyl-N-(2-hydroxyethyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCCN(CCO)C(=O)Cn1cccc(C(F)(F)F)c1=O
InChIInChI=1S/C12H15F3N2O3/c1-2-16(6-7-18)10(19)8-17-5-3-4-9(11(17)20)12(13,14)15/h3-5,18H,2,6-8H2,1H3
InChIKeyVVQYNNUVVOGVKO-UHFFFAOYSA-N
XLogP0.71
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxyethyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-ethyl-N-(2-hydroxyethyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (CID 78855387) is N-ethyl-N-(2-hydroxyethyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxyethyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-ethyl-N-(2-hydroxyethyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is CCN(CCO)C(=O)Cn1cccc(C(F)(F)F)c1=O.
What is the InChIKey of N-ethyl-N-(2-hydroxyethyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is VVQYNNUVVOGVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O3/c1-2-16(6-7-18)10(19)8-17-5-3-4-9(11(17)20)12(13,14)15/h3-5,18H,2,6-8H2,1H3.
What are the key properties of N-ethyl-N-(2-hydroxyethyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
N-ethyl-N-(2-hydroxyethyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 292.26 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxyethyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 78855387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).