2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide

C16H18ClF3N2O2 — CID 2587442

IUPAC2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
SMILESO=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NCCC1=CCCCC1
InChIInChI=1S/C16H18ClF3N2O2/c17-13-8-12(16(18,19)20)9-22(15(13)24)10-14(23)21-7-6-11-4-2-1-3-5-11/h4,8-9H,1-3,5-7,10H2,(H,21,23)
InChIKeyVYABNQDCMDIAEW-UHFFFAOYSA-N
MW362.78 g/mol
LogP3.53
Rot. Bonds5

About 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide

2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide (PubChem CID 2587442) has the molecular formula C16H18ClF3N2O2 and a molecular weight of 362.78 g/mol. Its IUPAC name is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
PubChem CID2587442
Molecular FormulaC16H18ClF3N2O2
Molecular Weight362.78 g/mol
Exact Mass362.10
IUPAC Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
SMILESO=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NCCC1=CCCCC1
InChIInChI=1S/C16H18ClF3N2O2/c17-13-8-12(16(18,19)20)9-22(15(13)24)10-14(23)21-7-6-11-4-2-1-3-5-11/h4,8-9H,1-3,5-7,10H2,(H,21,23)
InChIKeyVYABNQDCMDIAEW-UHFFFAOYSA-N
XLogP3.53
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.78
LogP ≤ 53.53
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

2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-ethylacetamide
CID 2587467
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2,3-dimethylcyclohexyl)acetamide
CID 4004519
N-[2-(cyclohexen-1-yl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 2623884
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(cyclohexylcarbamoyl)acetamide
CID 4855142
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-methylbutyl)acetamide
CID 8894328
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-methylpropyl)acetamide
CID 2587470
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(cyclohexylmethyl)acetamide
CID 2587520
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-cyclopentylacetamide
CID 2587522
N-cyclooctyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 2623833
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-cycloheptylacetamide
CID 3914066
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-cyclooctylacetamide
CID 4046169
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-methylcyclohexyl)acetamide
CID 4255373

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide (CID 2587442) is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The canonical SMILES for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide is O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NCCC1=CCCCC1.
What is the InChIKey of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The InChIKey is VYABNQDCMDIAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClF3N2O2/c17-13-8-12(16(18,19)20)9-22(15(13)24)10-14(23)21-7-6-11-4-2-1-3-5-11/h4,8-9H,1-3,5-7,10H2,(H,21,23).
What are the key properties of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide has a molecular weight of 362.78 g/mol, XLogP of 3.53, 5 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-(cyclohexen-1-yl)ethyl]acetamide is sourced from PubChem (CID 2587442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).