2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-cyclooctylacetamide

C16H20ClF3N2O2 — CID 4046169

IUPAC2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-cyclooctylacetamide
SMILESO=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NC1CCCCCCC1
InChIInChI=1S/C16H20ClF3N2O2/c17-13-8-11(16(18,19)20)9-22(15(13)24)10-14(23)21-12-6-4-2-1-3-5-7-12/h8-9,12H,1-7,10H2,(H,21,23)
InChIKeyAMUPOHUGHOUYEN-UHFFFAOYSA-N
MW364.80 g/mol
LogP3.75
Rot. Bonds3

About 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-cyclooctylacetamide

2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-cyclooctylacetamide (PubChem CID 4046169) 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-cyclooctylacetamide.

Molecular Properties

Compound Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-cyclooctylacetamide
PubChem CID4046169
Molecular FormulaC16H20ClF3N2O2
Molecular Weight364.80 g/mol
Exact Mass364.12
IUPAC Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-cyclooctylacetamide
SMILESO=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NC1CCCCCCC1
InChIInChI=1S/C16H20ClF3N2O2/c17-13-8-11(16(18,19)20)9-22(15(13)24)10-14(23)21-12-6-4-2-1-3-5-7-12/h8-9,12H,1-7,10H2,(H,21,23)
InChIKeyAMUPOHUGHOUYEN-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
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-cyclooctylacetamide?
The IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-cyclooctylacetamide (CID 4046169) is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-cyclooctylacetamide.
What is the SMILES notation for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-cyclooctylacetamide?
The canonical SMILES for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-cyclooctylacetamide is O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NC1CCCCCCC1.
What is the InChIKey of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-cyclooctylacetamide?
The InChIKey is AMUPOHUGHOUYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClF3N2O2/c17-13-8-11(16(18,19)20)9-22(15(13)24)10-14(23)21-12-6-4-2-1-3-5-7-12/h8-9,12H,1-7,10H2,(H,21,23).
What are the key properties of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-cyclooctylacetamide?
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-cyclooctylacetamide has a molecular weight of 364.80 g/mol, XLogP of 3.75, 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-cyclooctylacetamide is sourced from PubChem (CID 4046169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).