2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2,3-dimethylcyclohexyl)acetamide

C16H20ClF3N2O2 — CID 4004519

IUPAC2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2,3-dimethylcyclohexyl)acetamide
SMILESCC1CCCC(NC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)C1C
InChIInChI=1S/C16H20ClF3N2O2/c1-9-4-3-5-13(10(9)2)21-14(23)8-22-7-11(16(18,19)20)6-12(17)15(22)24/h6-7,9-10,13H,3-5,8H2,1-2H3,(H,21,23)
InChIKeyJSQSSPDCCNZCIL-UHFFFAOYSA-N
MW364.80 g/mol
LogP3.46
Rot. Bonds3

About 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2,3-dimethylcyclohexyl)acetamide

2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2,3-dimethylcyclohexyl)acetamide (PubChem CID 4004519) has the molecular formula C16H20ClF3N2O2 and a molecular weight of 364.80 g/mol. Its IUPAC name is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2,3-dimethylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2,3-dimethylcyclohexyl)acetamide
PubChem CID4004519
Molecular FormulaC16H20ClF3N2O2
Molecular Weight364.80 g/mol
Exact Mass364.12
IUPAC Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2,3-dimethylcyclohexyl)acetamide
SMILESCC1CCCC(NC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)C1C
InChIInChI=1S/C16H20ClF3N2O2/c1-9-4-3-5-13(10(9)2)21-14(23)8-22-7-11(16(18,19)20)6-12(17)15(22)24/h6-7,9-10,13H,3-5,8H2,1-2H3,(H,21,23)
InChIKeyJSQSSPDCCNZCIL-UHFFFAOYSA-N
XLogP3.46
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.80
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2,3-dimethylcyclohexyl)acetamide?
The IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2,3-dimethylcyclohexyl)acetamide (CID 4004519) is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2,3-dimethylcyclohexyl)acetamide.
What is the SMILES notation for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2,3-dimethylcyclohexyl)acetamide?
The canonical SMILES for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2,3-dimethylcyclohexyl)acetamide is CC1CCCC(NC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)C1C.
What is the InChIKey of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2,3-dimethylcyclohexyl)acetamide?
The InChIKey is JSQSSPDCCNZCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClF3N2O2/c1-9-4-3-5-13(10(9)2)21-14(23)8-22-7-11(16(18,19)20)6-12(17)15(22)24/h6-7,9-10,13H,3-5,8H2,1-2H3,(H,21,23).
What are the key properties of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2,3-dimethylcyclohexyl)acetamide?
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2,3-dimethylcyclohexyl)acetamide has a molecular weight of 364.80 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2,3-dimethylcyclohexyl)acetamide is sourced from PubChem (CID 4004519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).