N-(4-hydroxycyclohexyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide

C14H17F3N2O3 — CID 110884955

IUPACN-(4-hydroxycyclohexyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cccc(C(F)(F)F)c1=O)NC1CCC(O)CC1
InChIInChI=1S/C14H17F3N2O3/c15-14(16,17)11-2-1-7-19(13(11)22)8-12(21)18-9-3-5-10(20)6-4-9/h1-2,7,9-10,20H,3-6,8H2,(H,18,21)
InChIKeyWBCZNVCLLZPFGH-UHFFFAOYSA-N
MW318.29 g/mol
LogP1.29
Rot. Bonds3

About N-(4-hydroxycyclohexyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide

N-(4-hydroxycyclohexyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 110884955) has the molecular formula C14H17F3N2O3 and a molecular weight of 318.29 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID110884955
Molecular FormulaC14H17F3N2O3
Molecular Weight318.29 g/mol
Exact Mass318.12
IUPAC NameN-(4-hydroxycyclohexyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cccc(C(F)(F)F)c1=O)NC1CCC(O)CC1
InChIInChI=1S/C14H17F3N2O3/c15-14(16,17)11-2-1-7-19(13(11)22)8-12(21)18-9-3-5-10(20)6-4-9/h1-2,7,9-10,20H,3-6,8H2,(H,18,21)
InChIKeyWBCZNVCLLZPFGH-UHFFFAOYSA-N
XLogP1.29
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.29
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (CID 110884955) is N-(4-hydroxycyclohexyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is O=C(Cn1cccc(C(F)(F)F)c1=O)NC1CCC(O)CC1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is WBCZNVCLLZPFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O3/c15-14(16,17)11-2-1-7-19(13(11)22)8-12(21)18-9-3-5-10(20)6-4-9/h1-2,7,9-10,20H,3-6,8H2,(H,18,21).
What are the key properties of N-(4-hydroxycyclohexyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
N-(4-hydroxycyclohexyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 318.29 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 110884955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).