2-(3,4-difluorophenoxy)-N-[3-hydroxy-4-[[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]acetyl]amino]butyl]acetamide

C20H20F5N3O5 — CID 138632380

IUPAC2-(3,4-difluorophenoxy)-N-[3-hydroxy-4-[[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]acetyl]amino]butyl]acetamide
SMILESO=C(COc1ccc(F)c(F)c1)NCCC(O)CNC(=O)COc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C20H20F5N3O5/c21-15-3-1-13(7-16(15)22)32-10-18(30)26-6-5-12(29)8-28-19(31)11-33-14-2-4-17(27-9-14)20(23,24)25/h1-4,7,9,12,29H,5-6,8,10-11H2,(H,26,30)(H,28,31)
InChIKeyZCTJDASFHPEOOH-UHFFFAOYSA-N
MW477.39 g/mol
LogP1.82
Rot. Bonds11

About 2-(3,4-difluorophenoxy)-N-[3-hydroxy-4-[[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]acetyl]amino]butyl]acetamide

2-(3,4-difluorophenoxy)-N-[3-hydroxy-4-[[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]acetyl]amino]butyl]acetamide (PubChem CID 138632380) has the molecular formula C20H20F5N3O5 and a molecular weight of 477.39 g/mol. Its IUPAC name is 2-(3,4-difluorophenoxy)-N-[3-hydroxy-4-[[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]acetyl]amino]butyl]acetamide.

Molecular Properties

Compound Name2-(3,4-difluorophenoxy)-N-[3-hydroxy-4-[[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]acetyl]amino]butyl]acetamide
PubChem CID138632380
Molecular FormulaC20H20F5N3O5
Molecular Weight477.39 g/mol
Exact Mass477.13
IUPAC Name2-(3,4-difluorophenoxy)-N-[3-hydroxy-4-[[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]acetyl]amino]butyl]acetamide
SMILESO=C(COc1ccc(F)c(F)c1)NCCC(O)CNC(=O)COc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C20H20F5N3O5/c21-15-3-1-13(7-16(15)22)32-10-18(30)26-6-5-12(29)8-28-19(31)11-33-14-2-4-17(27-9-14)20(23,24)25/h1-4,7,9,12,29H,5-6,8,10-11H2,(H,26,30)(H,28,31)
InChIKeyZCTJDASFHPEOOH-UHFFFAOYSA-N
XLogP1.82
TPSA109.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.39
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenoxy)-N-[3-hydroxy-4-[[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]acetyl]amino]butyl]acetamide?
The IUPAC name of 2-(3,4-difluorophenoxy)-N-[3-hydroxy-4-[[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]acetyl]amino]butyl]acetamide (CID 138632380) is 2-(3,4-difluorophenoxy)-N-[3-hydroxy-4-[[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]acetyl]amino]butyl]acetamide.
What is the SMILES notation for 2-(3,4-difluorophenoxy)-N-[3-hydroxy-4-[[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]acetyl]amino]butyl]acetamide?
The canonical SMILES for 2-(3,4-difluorophenoxy)-N-[3-hydroxy-4-[[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]acetyl]amino]butyl]acetamide is O=C(COc1ccc(F)c(F)c1)NCCC(O)CNC(=O)COc1ccc(C(F)(F)F)nc1.
What is the InChIKey of 2-(3,4-difluorophenoxy)-N-[3-hydroxy-4-[[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]acetyl]amino]butyl]acetamide?
The InChIKey is ZCTJDASFHPEOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F5N3O5/c21-15-3-1-13(7-16(15)22)32-10-18(30)26-6-5-12(29)8-28-19(31)11-33-14-2-4-17(27-9-14)20(23,24)25/h1-4,7,9,12,29H,5-6,8,10-11H2,(H,26,30)(H,28,31).
What are the key properties of 2-(3,4-difluorophenoxy)-N-[3-hydroxy-4-[[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]acetyl]amino]butyl]acetamide?
2-(3,4-difluorophenoxy)-N-[3-hydroxy-4-[[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]acetyl]amino]butyl]acetamide has a molecular weight of 477.39 g/mol, XLogP of 1.82, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenoxy)-N-[3-hydroxy-4-[[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]acetyl]amino]butyl]acetamide is sourced from PubChem (CID 138632380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).