N-[2-(cyclohexen-1-yl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

C16H19F3N2O2 — CID 2623884

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cc(C(F)(F)F)ccc1=O)NCCC1=CCCCC1
InChIInChI=1S/C16H19F3N2O2/c17-16(18,19)13-6-7-15(23)21(10-13)11-14(22)20-9-8-12-4-2-1-3-5-12/h4,6-7,10H,1-3,5,8-9,11H2,(H,20,22)
InChIKeyNACFAIRBNXLQRT-UHFFFAOYSA-N
MW328.33 g/mol
LogP2.87
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 2623884) has the molecular formula C16H19F3N2O2 and a molecular weight of 328.33 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID2623884
Molecular FormulaC16H19F3N2O2
Molecular Weight328.33 g/mol
Exact Mass328.14
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cc(C(F)(F)F)ccc1=O)NCCC1=CCCCC1
InChIInChI=1S/C16H19F3N2O2/c17-16(18,19)13-6-7-15(23)21(10-13)11-14(22)20-9-8-12-4-2-1-3-5-12/h4,6-7,10H,1-3,5,8-9,11H2,(H,20,22)
InChIKeyNACFAIRBNXLQRT-UHFFFAOYSA-N
XLogP2.87
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 2623831
N-butyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 4826239
1-[2-(cyclohexen-1-yl)ethyl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea
CID 72047997
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-pentan-3-ylacetamide
CID 16377604
2-(5-bromo-2-oxo-1-pyridinyl)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 26217339
2-(azocan-1-yl)-2-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
CID 56800833
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2S)-pentan-2-yl]acetamide
CID 94177643
3-Amino-1-ethyl-4-[2-[2-oxo-3-(2,2,2-trifluoroethylamino)-1-pyridinyl]propyl]pyridin-2-one
CID 167076904
N-(2,2-difluoroethyl)-2-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide
CID 175565421
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 2587442
N-cyclooctyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 2623833
N-cycloheptyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 2623868

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (CID 2623884) is N-[2-(cyclohexen-1-yl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is O=C(Cn1cc(C(F)(F)F)ccc1=O)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is NACFAIRBNXLQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O2/c17-16(18,19)13-6-7-15(23)21(10-13)11-14(22)20-9-8-12-4-2-1-3-5-12/h4,6-7,10H,1-3,5,8-9,11H2,(H,20,22).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 328.33 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 2623884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).