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

C15H19F3N2O3 — CID 111426111

IUPACN-(2-cyclopentyl-2-hydroxyethyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cccc(C(F)(F)F)c1=O)NCC(O)C1CCCC1
InChIInChI=1S/C15H19F3N2O3/c16-15(17,18)11-6-3-7-20(14(11)23)9-13(22)19-8-12(21)10-4-1-2-5-10/h3,6-7,10,12,21H,1-2,4-5,8-9H2,(H,19,22)
InChIKeyILRXNVAIFGBXLR-UHFFFAOYSA-N
MW332.32 g/mol
LogP1.53
Rot. Bonds5

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

N-(2-cyclopentyl-2-hydroxyethyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 111426111) has the molecular formula C15H19F3N2O3 and a molecular weight of 332.32 g/mol. Its IUPAC name is N-(2-cyclopentyl-2-hydroxyethyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(2-cyclopentyl-2-hydroxyethyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID111426111
Molecular FormulaC15H19F3N2O3
Molecular Weight332.32 g/mol
Exact Mass332.13
IUPAC NameN-(2-cyclopentyl-2-hydroxyethyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cccc(C(F)(F)F)c1=O)NCC(O)C1CCCC1
InChIInChI=1S/C15H19F3N2O3/c16-15(17,18)11-6-3-7-20(14(11)23)9-13(22)19-8-12(21)10-4-1-2-5-10/h3,6-7,10,12,21H,1-2,4-5,8-9H2,(H,19,22)
InChIKeyILRXNVAIFGBXLR-UHFFFAOYSA-N
XLogP1.53
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentyl-2-hydroxyethyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-(2-cyclopentyl-2-hydroxyethyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (CID 111426111) is N-(2-cyclopentyl-2-hydroxyethyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-(2-cyclopentyl-2-hydroxyethyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-(2-cyclopentyl-2-hydroxyethyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is O=C(Cn1cccc(C(F)(F)F)c1=O)NCC(O)C1CCCC1.
What is the InChIKey of N-(2-cyclopentyl-2-hydroxyethyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is ILRXNVAIFGBXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O3/c16-15(17,18)11-6-3-7-20(14(11)23)9-13(22)19-8-12(21)10-4-1-2-5-10/h3,6-7,10,12,21H,1-2,4-5,8-9H2,(H,19,22).
What are the key properties of N-(2-cyclopentyl-2-hydroxyethyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
N-(2-cyclopentyl-2-hydroxyethyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 332.32 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentyl-2-hydroxyethyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 111426111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).