2-[4-fluoro-3-(trifluoromethyl)phenyl]-N-[3-[[2-(1,3,4-oxadiazol-2-yl)-4-pyridinyl]oxy]phenyl]acetamide

C22H14F4N4O3 — CID 23649280

IUPAC2-[4-fluoro-3-(trifluoromethyl)phenyl]-N-[3-[[2-(1,3,4-oxadiazol-2-yl)-4-pyridinyl]oxy]phenyl]acetamide
SMILESO=C(Cc1ccc(F)c(C(F)(F)F)c1)Nc1cccc(Oc2ccnc(-c3nnco3)c2)c1
InChIInChI=1S/C22H14F4N4O3/c23-18-5-4-13(8-17(18)22(24,25)26)9-20(31)29-14-2-1-3-15(10-14)33-16-6-7-27-19(11-16)21-30-28-12-32-21/h1-8,10-12H,9H2,(H,29,31)
InChIKeySDEFYFYQUXCUCP-UHFFFAOYSA-N
MW458.37 g/mol
LogP5.26
Rot. Bonds6

About 2-[4-fluoro-3-(trifluoromethyl)phenyl]-N-[3-[[2-(1,3,4-oxadiazol-2-yl)-4-pyridinyl]oxy]phenyl]acetamide

2-[4-fluoro-3-(trifluoromethyl)phenyl]-N-[3-[[2-(1,3,4-oxadiazol-2-yl)-4-pyridinyl]oxy]phenyl]acetamide (PubChem CID 23649280) has the molecular formula C22H14F4N4O3 and a molecular weight of 458.37 g/mol. Its IUPAC name is 2-[4-fluoro-3-(trifluoromethyl)phenyl]-N-[3-[[2-(1,3,4-oxadiazol-2-yl)-4-pyridinyl]oxy]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-fluoro-3-(trifluoromethyl)phenyl]-N-[3-[[2-(1,3,4-oxadiazol-2-yl)-4-pyridinyl]oxy]phenyl]acetamide
PubChem CID23649280
Molecular FormulaC22H14F4N4O3
Molecular Weight458.37 g/mol
Exact Mass458.10
IUPAC Name2-[4-fluoro-3-(trifluoromethyl)phenyl]-N-[3-[[2-(1,3,4-oxadiazol-2-yl)-4-pyridinyl]oxy]phenyl]acetamide
SMILESO=C(Cc1ccc(F)c(C(F)(F)F)c1)Nc1cccc(Oc2ccnc(-c3nnco3)c2)c1
InChIInChI=1S/C22H14F4N4O3/c23-18-5-4-13(8-17(18)22(24,25)26)9-20(31)29-14-2-1-3-15(10-14)33-16-6-7-27-19(11-16)21-30-28-12-32-21/h1-8,10-12H,9H2,(H,29,31)
InChIKeySDEFYFYQUXCUCP-UHFFFAOYSA-N
XLogP5.26
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.37
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-3-(trifluoromethyl)phenyl]-N-[3-[[2-(1,3,4-oxadiazol-2-yl)-4-pyridinyl]oxy]phenyl]acetamide?
The IUPAC name of 2-[4-fluoro-3-(trifluoromethyl)phenyl]-N-[3-[[2-(1,3,4-oxadiazol-2-yl)-4-pyridinyl]oxy]phenyl]acetamide (CID 23649280) is 2-[4-fluoro-3-(trifluoromethyl)phenyl]-N-[3-[[2-(1,3,4-oxadiazol-2-yl)-4-pyridinyl]oxy]phenyl]acetamide.
What is the SMILES notation for 2-[4-fluoro-3-(trifluoromethyl)phenyl]-N-[3-[[2-(1,3,4-oxadiazol-2-yl)-4-pyridinyl]oxy]phenyl]acetamide?
The canonical SMILES for 2-[4-fluoro-3-(trifluoromethyl)phenyl]-N-[3-[[2-(1,3,4-oxadiazol-2-yl)-4-pyridinyl]oxy]phenyl]acetamide is O=C(Cc1ccc(F)c(C(F)(F)F)c1)Nc1cccc(Oc2ccnc(-c3nnco3)c2)c1.
What is the InChIKey of 2-[4-fluoro-3-(trifluoromethyl)phenyl]-N-[3-[[2-(1,3,4-oxadiazol-2-yl)-4-pyridinyl]oxy]phenyl]acetamide?
The InChIKey is SDEFYFYQUXCUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F4N4O3/c23-18-5-4-13(8-17(18)22(24,25)26)9-20(31)29-14-2-1-3-15(10-14)33-16-6-7-27-19(11-16)21-30-28-12-32-21/h1-8,10-12H,9H2,(H,29,31).
What are the key properties of 2-[4-fluoro-3-(trifluoromethyl)phenyl]-N-[3-[[2-(1,3,4-oxadiazol-2-yl)-4-pyridinyl]oxy]phenyl]acetamide?
2-[4-fluoro-3-(trifluoromethyl)phenyl]-N-[3-[[2-(1,3,4-oxadiazol-2-yl)-4-pyridinyl]oxy]phenyl]acetamide has a molecular weight of 458.37 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-3-(trifluoromethyl)phenyl]-N-[3-[[2-(1,3,4-oxadiazol-2-yl)-4-pyridinyl]oxy]phenyl]acetamide is sourced from PubChem (CID 23649280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).