N-[1-(4-fluorophenyl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

C16H14F4N2O2 — CID 4968864

IUPACN-[1-(4-fluorophenyl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCC(NC(=O)Cn1cc(C(F)(F)F)ccc1=O)c1ccc(F)cc1
InChIInChI=1S/C16H14F4N2O2/c1-10(11-2-5-13(17)6-3-11)21-14(23)9-22-8-12(16(18,19)20)4-7-15(22)24/h2-8,10H,9H2,1H3,(H,21,23)
InChIKeyQSZYVKYXYUJWFD-UHFFFAOYSA-N
MW342.29 g/mol
LogP2.88
Rot. Bonds4

About N-[1-(4-fluorophenyl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

N-[1-(4-fluorophenyl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 4968864) has the molecular formula C16H14F4N2O2 and a molecular weight of 342.29 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID4968864
Molecular FormulaC16H14F4N2O2
Molecular Weight342.29 g/mol
Exact Mass342.10
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCC(NC(=O)Cn1cc(C(F)(F)F)ccc1=O)c1ccc(F)cc1
InChIInChI=1S/C16H14F4N2O2/c1-10(11-2-5-13(17)6-3-11)21-14(23)9-22-8-12(16(18,19)20)4-7-15(22)24/h2-8,10H,9H2,1H3,(H,21,23)
InChIKeyQSZYVKYXYUJWFD-UHFFFAOYSA-N
XLogP2.88
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.29
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (CID 4968864) is N-[1-(4-fluorophenyl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is CC(NC(=O)Cn1cc(C(F)(F)F)ccc1=O)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is QSZYVKYXYUJWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F4N2O2/c1-10(11-2-5-13(17)6-3-11)21-14(23)9-22-8-12(16(18,19)20)4-7-15(22)24/h2-8,10H,9H2,1H3,(H,21,23).
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
N-[1-(4-fluorophenyl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 342.29 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 4968864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).