N-(4,4-difluoropiperidin-3-yl)-7-[2-(2,2,2-trifluoroethoxy)phenyl]-1-benzofuran-2-carboxamide

C22H19F5N2O3 — CID 162763846

IUPACN-(4,4-difluoropiperidin-3-yl)-7-[2-(2,2,2-trifluoroethoxy)phenyl]-1-benzofuran-2-carboxamide
SMILESO=C(NC1CNCCC1(F)F)c1cc2cccc(-c3ccccc3OCC(F)(F)F)c2o1
InChIInChI=1S/C22H19F5N2O3/c23-21(24)8-9-28-11-18(21)29-20(30)17-10-13-4-3-6-15(19(13)32-17)14-5-1-2-7-16(14)31-12-22(25,26)27/h1-7,10,18,28H,8-9,11-12H2,(H,29,30)
InChIKeyKOQKPHSJXVASPP-UHFFFAOYSA-N
MW454.40 g/mol
LogP4.77
Rot. Bonds5

About N-(4,4-difluoropiperidin-3-yl)-7-[2-(2,2,2-trifluoroethoxy)phenyl]-1-benzofuran-2-carboxamide

N-(4,4-difluoropiperidin-3-yl)-7-[2-(2,2,2-trifluoroethoxy)phenyl]-1-benzofuran-2-carboxamide (PubChem CID 162763846) has the molecular formula C22H19F5N2O3 and a molecular weight of 454.40 g/mol. Its IUPAC name is N-(4,4-difluoropiperidin-3-yl)-7-[2-(2,2,2-trifluoroethoxy)phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(4,4-difluoropiperidin-3-yl)-7-[2-(2,2,2-trifluoroethoxy)phenyl]-1-benzofuran-2-carboxamide
PubChem CID162763846
Molecular FormulaC22H19F5N2O3
Molecular Weight454.40 g/mol
Exact Mass454.13
IUPAC NameN-(4,4-difluoropiperidin-3-yl)-7-[2-(2,2,2-trifluoroethoxy)phenyl]-1-benzofuran-2-carboxamide
SMILESO=C(NC1CNCCC1(F)F)c1cc2cccc(-c3ccccc3OCC(F)(F)F)c2o1
InChIInChI=1S/C22H19F5N2O3/c23-21(24)8-9-28-11-18(21)29-20(30)17-10-13-4-3-6-15(19(13)32-17)14-5-1-2-7-16(14)31-12-22(25,26)27/h1-7,10,18,28H,8-9,11-12H2,(H,29,30)
InChIKeyKOQKPHSJXVASPP-UHFFFAOYSA-N
XLogP4.77
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.40
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluoropiperidin-3-yl)-7-[2-(2,2,2-trifluoroethoxy)phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-(4,4-difluoropiperidin-3-yl)-7-[2-(2,2,2-trifluoroethoxy)phenyl]-1-benzofuran-2-carboxamide (CID 162763846) is N-(4,4-difluoropiperidin-3-yl)-7-[2-(2,2,2-trifluoroethoxy)phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(4,4-difluoropiperidin-3-yl)-7-[2-(2,2,2-trifluoroethoxy)phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(4,4-difluoropiperidin-3-yl)-7-[2-(2,2,2-trifluoroethoxy)phenyl]-1-benzofuran-2-carboxamide is O=C(NC1CNCCC1(F)F)c1cc2cccc(-c3ccccc3OCC(F)(F)F)c2o1.
What is the InChIKey of N-(4,4-difluoropiperidin-3-yl)-7-[2-(2,2,2-trifluoroethoxy)phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is KOQKPHSJXVASPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F5N2O3/c23-21(24)8-9-28-11-18(21)29-20(30)17-10-13-4-3-6-15(19(13)32-17)14-5-1-2-7-16(14)31-12-22(25,26)27/h1-7,10,18,28H,8-9,11-12H2,(H,29,30).
What are the key properties of N-(4,4-difluoropiperidin-3-yl)-7-[2-(2,2,2-trifluoroethoxy)phenyl]-1-benzofuran-2-carboxamide?
N-(4,4-difluoropiperidin-3-yl)-7-[2-(2,2,2-trifluoroethoxy)phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 454.40 g/mol, XLogP of 4.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluoropiperidin-3-yl)-7-[2-(2,2,2-trifluoroethoxy)phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 162763846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).