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

C18H20F3N3O3 — CID 71808042

IUPAC2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide
SMILESCC1(C)Cc2cccc(OCC(=O)NCCn3ccc(C(F)(F)F)n3)c2O1
InChIInChI=1S/C18H20F3N3O3/c1-17(2)10-12-4-3-5-13(16(12)27-17)26-11-15(25)22-7-9-24-8-6-14(23-24)18(19,20)21/h3-6,8H,7,9-11H2,1-2H3,(H,22,25)
InChIKeyKFMNTSVWSNDIDJ-UHFFFAOYSA-N
MW383.37 g/mol
LogP2.81
Rot. Bonds6

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

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide (PubChem CID 71808042) has the molecular formula C18H20F3N3O3 and a molecular weight of 383.37 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide
PubChem CID71808042
Molecular FormulaC18H20F3N3O3
Molecular Weight383.37 g/mol
Exact Mass383.15
IUPAC Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide
SMILESCC1(C)Cc2cccc(OCC(=O)NCCn3ccc(C(F)(F)F)n3)c2O1
InChIInChI=1S/C18H20F3N3O3/c1-17(2)10-12-4-3-5-13(16(12)27-17)26-11-15(25)22-7-9-24-8-6-14(23-24)18(19,20)21/h3-6,8H,7,9-11H2,1-2H3,(H,22,25)
InChIKeyKFMNTSVWSNDIDJ-UHFFFAOYSA-N
XLogP2.81
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.37
LogP ≤ 52.81
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-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide?
The IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide (CID 71808042) is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide.
What is the SMILES notation for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide?
The canonical SMILES for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide is CC1(C)Cc2cccc(OCC(=O)NCCn3ccc(C(F)(F)F)n3)c2O1.
What is the InChIKey of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide?
The InChIKey is KFMNTSVWSNDIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O3/c1-17(2)10-12-4-3-5-13(16(12)27-17)26-11-15(25)22-7-9-24-8-6-14(23-24)18(19,20)21/h3-6,8H,7,9-11H2,1-2H3,(H,22,25).
What are the key properties of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide?
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide has a molecular weight of 383.37 g/mol, XLogP of 2.81, 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-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide is sourced from PubChem (CID 71808042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).