ethane;2-methyl-N-pyrrolidin-3-yl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide

C23H26F3N3O3 — CID 163380526

IUPACethane;2-methyl-N-pyrrolidin-3-yl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide
SMILESCC.Cc1oc2ccc(OCc3cccnc3C(F)(F)F)cc2c1C(=O)NC1CCNC1
InChIInChI=1S/C21H20F3N3O3.C2H6/c1-12-18(20(28)27-14-6-8-25-10-14)16-9-15(4-5-17(16)30-12)29-11-13-3-2-7-26-19(13)21(22,23)24;1-2/h2-5,7,9,14,25H,6,8,10-11H2,1H3,(H,27,28);1-2H3
InChIKeyUYQVGNJOJPPIOA-UHFFFAOYSA-N
MW449.47 g/mol
LogP4.85
Rot. Bonds5

About ethane;2-methyl-N-pyrrolidin-3-yl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide

ethane;2-methyl-N-pyrrolidin-3-yl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide (PubChem CID 163380526) has the molecular formula C23H26F3N3O3 and a molecular weight of 449.47 g/mol. Its IUPAC name is ethane;2-methyl-N-pyrrolidin-3-yl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Nameethane;2-methyl-N-pyrrolidin-3-yl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide
PubChem CID163380526
Molecular FormulaC23H26F3N3O3
Molecular Weight449.47 g/mol
Exact Mass449.19
IUPAC Nameethane;2-methyl-N-pyrrolidin-3-yl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide
SMILESCC.Cc1oc2ccc(OCc3cccnc3C(F)(F)F)cc2c1C(=O)NC1CCNC1
InChIInChI=1S/C21H20F3N3O3.C2H6/c1-12-18(20(28)27-14-6-8-25-10-14)16-9-15(4-5-17(16)30-12)29-11-13-3-2-7-26-19(13)21(22,23)24;1-2/h2-5,7,9,14,25H,6,8,10-11H2,1H3,(H,27,28);1-2H3
InChIKeyUYQVGNJOJPPIOA-UHFFFAOYSA-N
XLogP4.85
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.47
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,3-difluoropiperidin-4-yl)-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide
CID 163380775
5-[(2-fluorophenyl)methoxy]-2-methyl-N-[(3S)-pyrrolidin-3-yl]-1-benzofuran-3-carboxamide
CID 163379508
5-[(2,3-difluorophenyl)methoxy]-2-methyl-N-[(3S)-pyrrolidin-3-yl]-1-benzofuran-3-carboxamide
CID 163379483
N-(4,4-difluorooxolan-3-yl)-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide
CID 163380454
2-methyl-N-pyrrolidin-3-yl-5-[[3-(trifluoromethyl)phenyl]methoxy]-1-benzofuran-3-carboxamide
CID 175486601
2-methyl-N-(1H-pyrazol-4-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide
CID 163380491
ethanol;methylazanide;2-methyl-5-phenylmethoxy-N-pyrrolidin-3-yl-1-benzofuran-3-carboxamide;uranium
CID 163379362
2-methyl-N-[(3R)-pyrrolidin-3-yl]-5-[1-[2-(trifluoromethyl)phenyl]ethoxy]-1-benzofuran-3-carboxamide
CID 163379593
N-[3-(hydroxymethyl)oxan-3-yl]-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide
CID 163380438
2-methyl-N-[(3S)-pyrrolidin-3-yl]-5-[1-[2-(trifluoromethyl)phenyl]propoxy]-1-benzofuran-3-carboxamide
CID 163379675
2-methyl-N-(1-methylpiperidin-4-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzothiophene-3-carboxamide
CID 170599558
4-chloro-N-(3,3-difluoropiperidin-4-yl)-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide
CID 169222061

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-N-pyrrolidin-3-yl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide?
The IUPAC name of ethane;2-methyl-N-pyrrolidin-3-yl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide (CID 163380526) is ethane;2-methyl-N-pyrrolidin-3-yl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide.
What is the SMILES notation for ethane;2-methyl-N-pyrrolidin-3-yl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide?
The canonical SMILES for ethane;2-methyl-N-pyrrolidin-3-yl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide is CC.Cc1oc2ccc(OCc3cccnc3C(F)(F)F)cc2c1C(=O)NC1CCNC1.
What is the InChIKey of ethane;2-methyl-N-pyrrolidin-3-yl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide?
The InChIKey is UYQVGNJOJPPIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O3.C2H6/c1-12-18(20(28)27-14-6-8-25-10-14)16-9-15(4-5-17(16)30-12)29-11-13-3-2-7-26-19(13)21(22,23)24;1-2/h2-5,7,9,14,25H,6,8,10-11H2,1H3,(H,27,28);1-2H3.
What are the key properties of ethane;2-methyl-N-pyrrolidin-3-yl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide?
ethane;2-methyl-N-pyrrolidin-3-yl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide has a molecular weight of 449.47 g/mol, XLogP of 4.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-N-pyrrolidin-3-yl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 163380526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).