2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide

C20H20F3NO3 — CID 5217542

IUPAC2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCC1(C)Cc2cccc(OCC(=O)NCc3cccc(C(F)(F)F)c3)c2O1
InChIInChI=1S/C20H20F3NO3/c1-19(2)10-14-6-4-8-16(18(14)27-19)26-12-17(25)24-11-13-5-3-7-15(9-13)20(21,22)23/h3-9H,10-12H2,1-2H3,(H,24,25)
InChIKeyVDTBHARKPUBCBG-UHFFFAOYSA-N
MW379.38 g/mol
LogP4.11
Rot. Bonds5

About 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 5217542) has the molecular formula C20H20F3NO3 and a molecular weight of 379.38 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID5217542
Molecular FormulaC20H20F3NO3
Molecular Weight379.38 g/mol
Exact Mass379.14
IUPAC Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCC1(C)Cc2cccc(OCC(=O)NCc3cccc(C(F)(F)F)c3)c2O1
InChIInChI=1S/C20H20F3NO3/c1-19(2)10-14-6-4-8-16(18(14)27-19)26-12-17(25)24-11-13-5-3-7-15(9-13)20(21,22)23/h3-9H,10-12H2,1-2H3,(H,24,25)
InChIKeyVDTBHARKPUBCBG-UHFFFAOYSA-N
XLogP4.11
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]methyl]benzamide
CID 33093596
4-[[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]methyl]benzoic acid
CID 45423782
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 30822680
N-[(2,6-difluorophenyl)methyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 8551831
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(3-phenylpropyl)acetamide
CID 8551560
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(2,5-dimethylfuran-3-yl)methyl]acetamide
CID 56765570
N-[(2-chlorophenyl)methyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 9165272
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 8588775
2-(2-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 8871375
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide
CID 90523049
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]acetamide
CID 55638698
2-(2-phenylphenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 8871382

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide (CID 5217542) is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide is CC1(C)Cc2cccc(OCC(=O)NCc3cccc(C(F)(F)F)c3)c2O1.
What is the InChIKey of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is VDTBHARKPUBCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3NO3/c1-19(2)10-14-6-4-8-16(18(14)27-19)26-12-17(25)24-11-13-5-3-7-15(9-13)20(21,22)23/h3-9H,10-12H2,1-2H3,(H,24,25).
What are the key properties of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 379.38 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 5217542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).