N-(2-hydroxy-2,3-dimethylbutyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide

C14H19F3N2O3 — CID 111483847

IUPACN-(2-hydroxy-2,3-dimethylbutyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCC(C)C(C)(O)CNC(=O)Cn1cccc(C(F)(F)F)c1=O
InChIInChI=1S/C14H19F3N2O3/c1-9(2)13(3,22)8-18-11(20)7-19-6-4-5-10(12(19)21)14(15,16)17/h4-6,9,22H,7-8H2,1-3H3,(H,18,20)
InChIKeyBWDXCXGFGFQNEQ-UHFFFAOYSA-N
MW320.31 g/mol
LogP1.39
Rot. Bonds5

About N-(2-hydroxy-2,3-dimethylbutyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide

N-(2-hydroxy-2,3-dimethylbutyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 111483847) has the molecular formula C14H19F3N2O3 and a molecular weight of 320.31 g/mol. Its IUPAC name is N-(2-hydroxy-2,3-dimethylbutyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,3-dimethylbutyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID111483847
Molecular FormulaC14H19F3N2O3
Molecular Weight320.31 g/mol
Exact Mass320.13
IUPAC NameN-(2-hydroxy-2,3-dimethylbutyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCC(C)C(C)(O)CNC(=O)Cn1cccc(C(F)(F)F)c1=O
InChIInChI=1S/C14H19F3N2O3/c1-9(2)13(3,22)8-18-11(20)7-19-6-4-5-10(12(19)21)14(15,16)17/h4-6,9,22H,7-8H2,1-3H3,(H,18,20)
InChIKeyBWDXCXGFGFQNEQ-UHFFFAOYSA-N
XLogP1.39
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,3-dimethylbutyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-(2-hydroxy-2,3-dimethylbutyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (CID 111483847) is N-(2-hydroxy-2,3-dimethylbutyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-(2-hydroxy-2,3-dimethylbutyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-(2-hydroxy-2,3-dimethylbutyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is CC(C)C(C)(O)CNC(=O)Cn1cccc(C(F)(F)F)c1=O.
What is the InChIKey of N-(2-hydroxy-2,3-dimethylbutyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is BWDXCXGFGFQNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O3/c1-9(2)13(3,22)8-18-11(20)7-19-6-4-5-10(12(19)21)14(15,16)17/h4-6,9,22H,7-8H2,1-3H3,(H,18,20).
What are the key properties of N-(2-hydroxy-2,3-dimethylbutyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
N-(2-hydroxy-2,3-dimethylbutyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 320.31 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,3-dimethylbutyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 111483847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).