N-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide

C16H11F7N2O3 — CID 86948405

IUPACN-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cccc(C(F)(F)F)c1=O)Nc1ccc(F)cc1OCC(F)(F)F
InChIInChI=1S/C16H11F7N2O3/c17-9-3-4-11(12(6-9)28-8-15(18,19)20)24-13(26)7-25-5-1-2-10(14(25)27)16(21,22)23/h1-6H,7-8H2,(H,24,26)
InChIKeyZYVOSTVZPAMHGW-UHFFFAOYSA-N
MW412.26 g/mol
LogP3.59
Rot. Bonds5

About N-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide

N-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 86948405) has the molecular formula C16H11F7N2O3 and a molecular weight of 412.26 g/mol. Its IUPAC name is N-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID86948405
Molecular FormulaC16H11F7N2O3
Molecular Weight412.26 g/mol
Exact Mass412.07
IUPAC NameN-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cccc(C(F)(F)F)c1=O)Nc1ccc(F)cc1OCC(F)(F)F
InChIInChI=1S/C16H11F7N2O3/c17-9-3-4-11(12(6-9)28-8-15(18,19)20)24-13(26)7-25-5-1-2-10(14(25)27)16(21,22)23/h1-6H,7-8H2,(H,24,26)
InChIKeyZYVOSTVZPAMHGW-UHFFFAOYSA-N
XLogP3.59
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.26
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (CID 86948405) is N-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is O=C(Cn1cccc(C(F)(F)F)c1=O)Nc1ccc(F)cc1OCC(F)(F)F.
What is the InChIKey of N-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is ZYVOSTVZPAMHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F7N2O3/c17-9-3-4-11(12(6-9)28-8-15(18,19)20)24-13(26)7-25-5-1-2-10(14(25)27)16(21,22)23/h1-6H,7-8H2,(H,24,26).
What are the key properties of N-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
N-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 412.26 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 86948405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).