N-(3,3-difluoropiperidin-4-yl)-2-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methoxy]-1-benzofuran-3-carboxamide

C22H20F5N3O3 — CID 163379946

IUPACN-(3,3-difluoropiperidin-4-yl)-2-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methoxy]-1-benzofuran-3-carboxamide
SMILESCc1oc2ccc(OCc3ncccc3C(F)(F)F)cc2c1C(=O)NC1CCNCC1(F)F
InChIInChI=1S/C22H20F5N3O3/c1-12-19(20(31)30-18-6-8-28-11-21(18,23)24)14-9-13(4-5-17(14)33-12)32-10-16-15(22(25,26)27)3-2-7-29-16/h2-5,7,9,18,28H,6,8,10-11H2,1H3,(H,30,31)
InChIKeyQZSMFXGHXDXHAL-UHFFFAOYSA-N
MW469.41 g/mol
LogP4.46
Rot. Bonds5

About N-(3,3-difluoropiperidin-4-yl)-2-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methoxy]-1-benzofuran-3-carboxamide

N-(3,3-difluoropiperidin-4-yl)-2-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methoxy]-1-benzofuran-3-carboxamide (PubChem CID 163379946) has the molecular formula C22H20F5N3O3 and a molecular weight of 469.41 g/mol. Its IUPAC name is N-(3,3-difluoropiperidin-4-yl)-2-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methoxy]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-(3,3-difluoropiperidin-4-yl)-2-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methoxy]-1-benzofuran-3-carboxamide
PubChem CID163379946
Molecular FormulaC22H20F5N3O3
Molecular Weight469.41 g/mol
Exact Mass469.14
IUPAC NameN-(3,3-difluoropiperidin-4-yl)-2-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methoxy]-1-benzofuran-3-carboxamide
SMILESCc1oc2ccc(OCc3ncccc3C(F)(F)F)cc2c1C(=O)NC1CCNCC1(F)F
InChIInChI=1S/C22H20F5N3O3/c1-12-19(20(31)30-18-6-8-28-11-21(18,23)24)14-9-13(4-5-17(14)33-12)32-10-16-15(22(25,26)27)3-2-7-29-16/h2-5,7,9,18,28H,6,8,10-11H2,1H3,(H,30,31)
InChIKeyQZSMFXGHXDXHAL-UHFFFAOYSA-N
XLogP4.46
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.41
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoropiperidin-4-yl)-2-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methoxy]-1-benzofuran-3-carboxamide?
The IUPAC name of N-(3,3-difluoropiperidin-4-yl)-2-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methoxy]-1-benzofuran-3-carboxamide (CID 163379946) is N-(3,3-difluoropiperidin-4-yl)-2-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methoxy]-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-(3,3-difluoropiperidin-4-yl)-2-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methoxy]-1-benzofuran-3-carboxamide?
The canonical SMILES for N-(3,3-difluoropiperidin-4-yl)-2-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methoxy]-1-benzofuran-3-carboxamide is Cc1oc2ccc(OCc3ncccc3C(F)(F)F)cc2c1C(=O)NC1CCNCC1(F)F.
What is the InChIKey of N-(3,3-difluoropiperidin-4-yl)-2-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methoxy]-1-benzofuran-3-carboxamide?
The InChIKey is QZSMFXGHXDXHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F5N3O3/c1-12-19(20(31)30-18-6-8-28-11-21(18,23)24)14-9-13(4-5-17(14)33-12)32-10-16-15(22(25,26)27)3-2-7-29-16/h2-5,7,9,18,28H,6,8,10-11H2,1H3,(H,30,31).
What are the key properties of N-(3,3-difluoropiperidin-4-yl)-2-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methoxy]-1-benzofuran-3-carboxamide?
N-(3,3-difluoropiperidin-4-yl)-2-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methoxy]-1-benzofuran-3-carboxamide has a molecular weight of 469.41 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoropiperidin-4-yl)-2-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methoxy]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 163379946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).