4-[6-[2-(azetidin-1-yl)ethoxy]-1-benzofuran-3-yl]-2-(difluoromethoxy)-N-[(1R,2S)-2-fluorocyclopropyl]-6-methoxybenzamide

C25H25F3N2O5 — CID 178067522

IUPAC4-[6-[2-(azetidin-1-yl)ethoxy]-1-benzofuran-3-yl]-2-(difluoromethoxy)-N-[(1R,2S)-2-fluorocyclopropyl]-6-methoxybenzamide
SMILESCOc1cc(-c2coc3cc(OCCN4CCC4)ccc23)cc(OC(F)F)c1C(=O)N[C@@H]1C[C@@H]1F
InChIInChI=1S/C25H25F3N2O5/c1-32-21-9-14(10-22(35-25(27)28)23(21)24(31)29-19-12-18(19)26)17-13-34-20-11-15(3-4-16(17)20)33-8-7-30-5-2-6-30/h3-4,9-11,13,18-19,25H,2,5-8,12H2,1H3,(H,29,31)/t18-,19+/m0/s1
InChIKeyGASCYZCZNZPVCS-RBUKOAKNSA-N
MW490.48 g/mol
LogP4.63
Rot. Bonds10

About 4-[6-[2-(azetidin-1-yl)ethoxy]-1-benzofuran-3-yl]-2-(difluoromethoxy)-N-[(1R,2S)-2-fluorocyclopropyl]-6-methoxybenzamide

4-[6-[2-(azetidin-1-yl)ethoxy]-1-benzofuran-3-yl]-2-(difluoromethoxy)-N-[(1R,2S)-2-fluorocyclopropyl]-6-methoxybenzamide (PubChem CID 178067522) has the molecular formula C25H25F3N2O5 and a molecular weight of 490.48 g/mol. Its IUPAC name is 4-[6-[2-(azetidin-1-yl)ethoxy]-1-benzofuran-3-yl]-2-(difluoromethoxy)-N-[(1R,2S)-2-fluorocyclopropyl]-6-methoxybenzamide.

Molecular Properties

Compound Name4-[6-[2-(azetidin-1-yl)ethoxy]-1-benzofuran-3-yl]-2-(difluoromethoxy)-N-[(1R,2S)-2-fluorocyclopropyl]-6-methoxybenzamide
PubChem CID178067522
Molecular FormulaC25H25F3N2O5
Molecular Weight490.48 g/mol
Exact Mass490.17
IUPAC Name4-[6-[2-(azetidin-1-yl)ethoxy]-1-benzofuran-3-yl]-2-(difluoromethoxy)-N-[(1R,2S)-2-fluorocyclopropyl]-6-methoxybenzamide
SMILESCOc1cc(-c2coc3cc(OCCN4CCC4)ccc23)cc(OC(F)F)c1C(=O)N[C@@H]1C[C@@H]1F
InChIInChI=1S/C25H25F3N2O5/c1-32-21-9-14(10-22(35-25(27)28)23(21)24(31)29-19-12-18(19)26)17-13-34-20-11-15(3-4-16(17)20)33-8-7-30-5-2-6-30/h3-4,9-11,13,18-19,25H,2,5-8,12H2,1H3,(H,29,31)/t18-,19+/m0/s1
InChIKeyGASCYZCZNZPVCS-RBUKOAKNSA-N
XLogP4.63
TPSA73.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.48
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(difluoromethoxy)-N-[(1R,2S)-2-fluorocyclopropyl]-6-methoxy-4-[6-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]-1-benzofuran-3-yl]benzamide
CID 178067571
2-(difluoromethoxy)-N-[(1R,2S)-2-fluorocyclopropyl]-4-(6-hydroxy-1-benzofuran-3-yl)-6-methoxybenzamide
CID 178067569
N-cyclopropyl-2-(difluoromethoxy)-6-[(1-methylazetidin-3-yl)methoxy]-4-[6-(2-pyrrolidin-1-ylethoxy)-1-benzofuran-3-yl]benzamide
CID 178067721
2-[8-methoxy-1-oxo-6-[6-(2-pyrrolidin-1-ylethoxy)-1-benzofuran-3-yl]-3,4-dihydroisoquinolin-2-yl]acetonitrile
CID 178067554
2-(difluoromethoxy)-N-[(1R,2R)-2-hydroxycyclobutyl]-6-methoxy-4-[7-(3-piperidin-1-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]benzamide
CID 155797821
2-(difluoromethoxy)-N-[(1R,2S)-2-fluorocyclopropyl]-6-methoxy-4-[6-(2-methyl-1-morpholin-4-ylpropan-2-yl)oxypyrazolo[1,5-a]pyridin-3-yl]benzamide
CID 161123848
N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(3-pyrrolidin-1-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]benzamide
CID 146273484
2-(difluoromethoxy)-N-(2-fluorocyclopropyl)-4-[6-(1-hydroxy-2-methylpropan-2-yl)oxypyrazolo[1,5-a]pyridin-3-yl]-6-methoxybenzamide
CID 155727757
2-[4-[5-[(3-phenyl-1-benzofuran-6-yl)oxy]pentyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 25064629
N-cyclopropyl-2-(difluoromethoxy)-4-[7-[2-(3,3-difluoropyrrolidin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-6-methoxybenzamide
CID 146273345
4-[6-[1-(cyanomethylamino)cyclobutyl]pyrazolo[1,5-a]pyridin-3-yl]-2-(difluoromethoxy)-N-[(1R,2S)-2-fluorocyclopropyl]-6-methoxybenzamide
CID 155727331
methyl 1-[2-[3-[4-(cyclopropylcarbamoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxyethyl]azetidine-3-carboxylate
CID 146273414

Frequently Asked Questions

What is the IUPAC name of 4-[6-[2-(azetidin-1-yl)ethoxy]-1-benzofuran-3-yl]-2-(difluoromethoxy)-N-[(1R,2S)-2-fluorocyclopropyl]-6-methoxybenzamide?
The IUPAC name of 4-[6-[2-(azetidin-1-yl)ethoxy]-1-benzofuran-3-yl]-2-(difluoromethoxy)-N-[(1R,2S)-2-fluorocyclopropyl]-6-methoxybenzamide (CID 178067522) is 4-[6-[2-(azetidin-1-yl)ethoxy]-1-benzofuran-3-yl]-2-(difluoromethoxy)-N-[(1R,2S)-2-fluorocyclopropyl]-6-methoxybenzamide.
What is the SMILES notation for 4-[6-[2-(azetidin-1-yl)ethoxy]-1-benzofuran-3-yl]-2-(difluoromethoxy)-N-[(1R,2S)-2-fluorocyclopropyl]-6-methoxybenzamide?
The canonical SMILES for 4-[6-[2-(azetidin-1-yl)ethoxy]-1-benzofuran-3-yl]-2-(difluoromethoxy)-N-[(1R,2S)-2-fluorocyclopropyl]-6-methoxybenzamide is COc1cc(-c2coc3cc(OCCN4CCC4)ccc23)cc(OC(F)F)c1C(=O)N[C@@H]1C[C@@H]1F.
What is the InChIKey of 4-[6-[2-(azetidin-1-yl)ethoxy]-1-benzofuran-3-yl]-2-(difluoromethoxy)-N-[(1R,2S)-2-fluorocyclopropyl]-6-methoxybenzamide?
The InChIKey is GASCYZCZNZPVCS-RBUKOAKNSA-N. The full InChI is InChI=1S/C25H25F3N2O5/c1-32-21-9-14(10-22(35-25(27)28)23(21)24(31)29-19-12-18(19)26)17-13-34-20-11-15(3-4-16(17)20)33-8-7-30-5-2-6-30/h3-4,9-11,13,18-19,25H,2,5-8,12H2,1H3,(H,29,31)/t18-,19+/m0/s1.
What are the key properties of 4-[6-[2-(azetidin-1-yl)ethoxy]-1-benzofuran-3-yl]-2-(difluoromethoxy)-N-[(1R,2S)-2-fluorocyclopropyl]-6-methoxybenzamide?
4-[6-[2-(azetidin-1-yl)ethoxy]-1-benzofuran-3-yl]-2-(difluoromethoxy)-N-[(1R,2S)-2-fluorocyclopropyl]-6-methoxybenzamide has a molecular weight of 490.48 g/mol, XLogP of 4.63, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[2-(azetidin-1-yl)ethoxy]-1-benzofuran-3-yl]-2-(difluoromethoxy)-N-[(1R,2S)-2-fluorocyclopropyl]-6-methoxybenzamide is sourced from PubChem (CID 178067522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).