N-[3-(hydroxymethyl)oxan-3-yl]-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide

C23H23F3N2O5 — CID 163380438

IUPACN-[3-(hydroxymethyl)oxan-3-yl]-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide
SMILESCc1oc2ccc(OCc3cccnc3C(F)(F)F)cc2c1C(=O)NC1(CO)CCCOC1
InChIInChI=1S/C23H23F3N2O5/c1-14-19(21(30)28-22(12-29)7-3-9-31-13-22)17-10-16(5-6-18(17)33-14)32-11-15-4-2-8-27-20(15)23(24,25)26/h2,4-6,8,10,29H,3,7,9,11-13H2,1H3,(H,28,30)
InChIKeyJLKAWMYWJHEWTE-UHFFFAOYSA-N
MW464.44 g/mol
LogP4.01
Rot. Bonds6

About N-[3-(hydroxymethyl)oxan-3-yl]-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide

N-[3-(hydroxymethyl)oxan-3-yl]-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide (PubChem CID 163380438) has the molecular formula C23H23F3N2O5 and a molecular weight of 464.44 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)oxan-3-yl]-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)oxan-3-yl]-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide
PubChem CID163380438
Molecular FormulaC23H23F3N2O5
Molecular Weight464.44 g/mol
Exact Mass464.16
IUPAC NameN-[3-(hydroxymethyl)oxan-3-yl]-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide
SMILESCc1oc2ccc(OCc3cccnc3C(F)(F)F)cc2c1C(=O)NC1(CO)CCCOC1
InChIInChI=1S/C23H23F3N2O5/c1-14-19(21(30)28-22(12-29)7-3-9-31-13-22)17-10-16(5-6-18(17)33-14)32-11-15-4-2-8-27-20(15)23(24,25)26/h2,4-6,8,10,29H,3,7,9,11-13H2,1H3,(H,28,30)
InChIKeyJLKAWMYWJHEWTE-UHFFFAOYSA-N
XLogP4.01
TPSA93.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.44
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(hydroxymethyl)cyclobutyl]-5-[(2-methoxy-3-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide
CID 163381037
N-(4,4-difluorooxolan-3-yl)-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide
CID 163380454
5-[(2-fluorophenyl)methoxy]-N-[1-(hydroxymethyl)cyclopropyl]-2-methyl-1-benzofuran-3-carboxamide
CID 163379307
2-methyl-N-(1H-pyrazol-4-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide
CID 163380491
ethane;2-methyl-N-pyrrolidin-3-yl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide
CID 163380526
N-(3,3-difluoropiperidin-4-yl)-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide
CID 163380775
N-[4-(hydroxymethyl)oxan-4-yl]-2-methyl-5-[(2-methylpyrimidin-4-yl)methoxy]-1-benzofuran-3-carboxamide
CID 163380766
ethane;methyl 2-[[1-[2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-yl]cyclopropyl]amino]acetate
CID 170599471
N-[4-(hydroxymethyl)oxan-4-yl]-2-methyl-5-[(5-methylpyrazin-2-yl)methoxy]-1-benzofuran-3-carboxamide
CID 163380239
N-(3-carbamoyloxetan-3-yl)-5-[(2-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide
CID 163379346
N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-[[2-(difluoromethyl)-3-pyridinyl]methoxy]-2-methyl-1-benzofuran-3-carboxamide
CID 163380991
N-[1-(aminomethyl)cyclobutyl]-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide
CID 163380922

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)oxan-3-yl]-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide?
The IUPAC name of N-[3-(hydroxymethyl)oxan-3-yl]-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide (CID 163380438) is N-[3-(hydroxymethyl)oxan-3-yl]-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-[3-(hydroxymethyl)oxan-3-yl]-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide?
The canonical SMILES for N-[3-(hydroxymethyl)oxan-3-yl]-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide is Cc1oc2ccc(OCc3cccnc3C(F)(F)F)cc2c1C(=O)NC1(CO)CCCOC1.
What is the InChIKey of N-[3-(hydroxymethyl)oxan-3-yl]-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide?
The InChIKey is JLKAWMYWJHEWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N2O5/c1-14-19(21(30)28-22(12-29)7-3-9-31-13-22)17-10-16(5-6-18(17)33-14)32-11-15-4-2-8-27-20(15)23(24,25)26/h2,4-6,8,10,29H,3,7,9,11-13H2,1H3,(H,28,30).
What are the key properties of N-[3-(hydroxymethyl)oxan-3-yl]-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide?
N-[3-(hydroxymethyl)oxan-3-yl]-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide has a molecular weight of 464.44 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)oxan-3-yl]-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 163380438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).