2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide

C19H19F3N2O4 — CID 55712108

IUPAC2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide
SMILESCC1(C)Cc2cccc(OCC(=O)Nc3ccc(OCC(F)(F)F)nc3)c2O1
InChIInChI=1S/C19H19F3N2O4/c1-18(2)8-12-4-3-5-14(17(12)28-18)26-10-15(25)24-13-6-7-16(23-9-13)27-11-19(20,21)22/h3-7,9H,8,10-11H2,1-2H3,(H,24,25)
InChIKeyBVTXGPQPSPAIGS-UHFFFAOYSA-N
MW396.37 g/mol
LogP3.75
Rot. Bonds6

About 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide (PubChem CID 55712108) has the molecular formula C19H19F3N2O4 and a molecular weight of 396.37 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide
PubChem CID55712108
Molecular FormulaC19H19F3N2O4
Molecular Weight396.37 g/mol
Exact Mass396.13
IUPAC Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide
SMILESCC1(C)Cc2cccc(OCC(=O)Nc3ccc(OCC(F)(F)F)nc3)c2O1
InChIInChI=1S/C19H19F3N2O4/c1-18(2)8-12-4-3-5-14(17(12)28-18)26-10-15(25)24-13-6-7-16(23-9-13)27-11-19(20,21)22/h3-7,9H,8,10-11H2,1-2H3,(H,24,25)
InChIKeyBVTXGPQPSPAIGS-UHFFFAOYSA-N
XLogP3.75
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide?
The IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide (CID 55712108) is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide?
The canonical SMILES for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide is CC1(C)Cc2cccc(OCC(=O)Nc3ccc(OCC(F)(F)F)nc3)c2O1.
What is the InChIKey of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide?
The InChIKey is BVTXGPQPSPAIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O4/c1-18(2)8-12-4-3-5-14(17(12)28-18)26-10-15(25)24-13-6-7-16(23-9-13)27-11-19(20,21)22/h3-7,9H,8,10-11H2,1-2H3,(H,24,25).
What are the key properties of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide?
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide has a molecular weight of 396.37 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide is sourced from PubChem (CID 55712108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).