N-cyclooctyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

C16H21F3N2O2 — CID 2623833

IUPACN-cyclooctyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cc(C(F)(F)F)ccc1=O)NC1CCCCCCC1
InChIInChI=1S/C16H21F3N2O2/c17-16(18,19)12-8-9-15(23)21(10-12)11-14(22)20-13-6-4-2-1-3-5-7-13/h8-10,13H,1-7,11H2,(H,20,22)
InChIKeyBQORMKRIUDGTPS-UHFFFAOYSA-N
MW330.35 g/mol
LogP3.10
Rot. Bonds3

About N-cyclooctyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

N-cyclooctyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 2623833) has the molecular formula C16H21F3N2O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is N-cyclooctyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-cyclooctyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID2623833
Molecular FormulaC16H21F3N2O2
Molecular Weight330.35 g/mol
Exact Mass330.16
IUPAC NameN-cyclooctyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cc(C(F)(F)F)ccc1=O)NC1CCCCCCC1
InChIInChI=1S/C16H21F3N2O2/c17-16(18,19)12-8-9-15(23)21(10-12)11-14(22)20-13-6-4-2-1-3-5-7-13/h8-10,13H,1-7,11H2,(H,20,22)
InChIKeyBQORMKRIUDGTPS-UHFFFAOYSA-N
XLogP3.10
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-cyclooctyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (CID 2623833) is N-cyclooctyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-cyclooctyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-cyclooctyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is O=C(Cn1cc(C(F)(F)F)ccc1=O)NC1CCCCCCC1.
What is the InChIKey of N-cyclooctyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is BQORMKRIUDGTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O2/c17-16(18,19)12-8-9-15(23)21(10-12)11-14(22)20-13-6-4-2-1-3-5-7-13/h8-10,13H,1-7,11H2,(H,20,22).
What are the key properties of N-cyclooctyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
N-cyclooctyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 330.35 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 2623833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).