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

C22H19F5N4O4 — CID 175480364

IUPAC4-(3,3-difluoropiperidin-4-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-2,3-dicarboxamide
SMILESNC(=O)c1oc2ccc(OCc3cccnc3C(F)(F)F)c(C3CCNCC3(F)F)c2c1C(N)=O
InChIInChI=1S/C22H19F5N4O4/c23-21(24)9-30-7-5-11(21)14-12(34-8-10-2-1-6-31-18(10)22(25,26)27)3-4-13-15(14)16(19(28)32)17(35-13)20(29)33/h1-4,6,11,30H,5,7-9H2,(H2,28,32)(H2,29,33)
InChIKeyDYFZPLSLDZYBAM-UHFFFAOYSA-N
MW498.41 g/mol
LogP3.34
Rot. Bonds6

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

4-(3,3-difluoropiperidin-4-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-2,3-dicarboxamide (PubChem CID 175480364) has the molecular formula C22H19F5N4O4 and a molecular weight of 498.41 g/mol. Its IUPAC name is 4-(3,3-difluoropiperidin-4-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-2,3-dicarboxamide.

Molecular Properties

Compound Name4-(3,3-difluoropiperidin-4-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-2,3-dicarboxamide
PubChem CID175480364
Molecular FormulaC22H19F5N4O4
Molecular Weight498.41 g/mol
Exact Mass498.13
IUPAC Name4-(3,3-difluoropiperidin-4-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-2,3-dicarboxamide
SMILESNC(=O)c1oc2ccc(OCc3cccnc3C(F)(F)F)c(C3CCNCC3(F)F)c2c1C(N)=O
InChIInChI=1S/C22H19F5N4O4/c23-21(24)9-30-7-5-11(21)14-12(34-8-10-2-1-6-31-18(10)22(25,26)27)3-4-13-15(14)16(19(28)32)17(35-13)20(29)33/h1-4,6,11,30H,5,7-9H2,(H2,28,32)(H2,29,33)
InChIKeyDYFZPLSLDZYBAM-UHFFFAOYSA-N
XLogP3.34
TPSA133.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.41
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-(5,5-difluoropiperidin-3-yl)-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide
CID 175480621
4-chloro-N-(3,3-difluoropiperidin-4-yl)-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide
CID 169222061
4-[1-(hydroxymethyl)cyclopropyl]-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide
CID 175480674
4-(3,3-difluoropiperidin-4-yl)-2-methyl-5-[(3-methyltriazol-4-yl)methoxy]-1-benzofuran-3-carboxamide
CID 175480370
N-(3,3-difluoropiperidin-4-yl)-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide
CID 163380775
4-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide
CID 175480244
ethane;2-methyl-N-pyrrolidin-3-yl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide
CID 163380526
4-(4,4-difluoropiperidin-3-yl)-2-methyl-5-[(2-oxo-1H-pyridin-3-yl)methoxy]-1-benzofuran-3-carboxamide
CID 175480263
N-(4,4-difluorooxolan-3-yl)-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide
CID 163380454
2-tert-butyl-4-[[2,6-dimethyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carbonyl]amino]-3,3-difluoropiperidine-1-carboxylic acid
CID 175480779
4-(1,3-dihydroxy-2-methylpropan-2-yl)-5-[(2-methoxy-3-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide
CID 175480277
ethane;methyl 2-[[1-[2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-yl]cyclopropyl]amino]acetate
CID 170599471

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-difluoropiperidin-4-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-2,3-dicarboxamide?
The IUPAC name of 4-(3,3-difluoropiperidin-4-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-2,3-dicarboxamide (CID 175480364) is 4-(3,3-difluoropiperidin-4-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-2,3-dicarboxamide.
What is the SMILES notation for 4-(3,3-difluoropiperidin-4-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-2,3-dicarboxamide?
The canonical SMILES for 4-(3,3-difluoropiperidin-4-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-2,3-dicarboxamide is NC(=O)c1oc2ccc(OCc3cccnc3C(F)(F)F)c(C3CCNCC3(F)F)c2c1C(N)=O.
What is the InChIKey of 4-(3,3-difluoropiperidin-4-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-2,3-dicarboxamide?
The InChIKey is DYFZPLSLDZYBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F5N4O4/c23-21(24)9-30-7-5-11(21)14-12(34-8-10-2-1-6-31-18(10)22(25,26)27)3-4-13-15(14)16(19(28)32)17(35-13)20(29)33/h1-4,6,11,30H,5,7-9H2,(H2,28,32)(H2,29,33).
What are the key properties of 4-(3,3-difluoropiperidin-4-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-2,3-dicarboxamide?
4-(3,3-difluoropiperidin-4-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-2,3-dicarboxamide has a molecular weight of 498.41 g/mol, XLogP of 3.34, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-difluoropiperidin-4-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-2,3-dicarboxamide is sourced from PubChem (CID 175480364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).