4-[[2-(difluoromethoxy)-3-methoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]methyl]benzamide

C24H19F2NO6 — CID 70170490

IUPAC4-[[2-(difluoromethoxy)-3-methoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]methyl]benzamide
SMILESCOc1ccc(-c2ccc3c(c2)COC3=O)c(OCc2ccc(C(N)=O)cc2)c1OC(F)F
InChIInChI=1S/C24H19F2NO6/c1-30-19-9-8-17(15-6-7-18-16(10-15)12-32-23(18)29)20(21(19)33-24(25)26)31-11-13-2-4-14(5-3-13)22(27)28/h2-10,24H,11-12H2,1H3,(H2,27,28)
InChIKeyWKHFTTTXRIXHMI-UHFFFAOYSA-N
MW455.41 g/mol
LogP4.31
Rot. Bonds8

About 4-[[2-(difluoromethoxy)-3-methoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]methyl]benzamide

4-[[2-(difluoromethoxy)-3-methoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]methyl]benzamide (PubChem CID 70170490) has the molecular formula C24H19F2NO6 and a molecular weight of 455.41 g/mol. Its IUPAC name is 4-[[2-(difluoromethoxy)-3-methoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]methyl]benzamide.

Molecular Properties

Compound Name4-[[2-(difluoromethoxy)-3-methoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]methyl]benzamide
PubChem CID70170490
Molecular FormulaC24H19F2NO6
Molecular Weight455.41 g/mol
Exact Mass455.12
IUPAC Name4-[[2-(difluoromethoxy)-3-methoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]methyl]benzamide
SMILESCOc1ccc(-c2ccc3c(c2)COC3=O)c(OCc2ccc(C(N)=O)cc2)c1OC(F)F
InChIInChI=1S/C24H19F2NO6/c1-30-19-9-8-17(15-6-7-18-16(10-15)12-32-23(18)29)20(21(19)33-24(25)26)31-11-13-2-4-14(5-3-13)22(27)28/h2-10,24H,11-12H2,1H3,(H2,27,28)
InChIKeyWKHFTTTXRIXHMI-UHFFFAOYSA-N
XLogP4.31
TPSA97.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.41
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[2-(difluoromethoxy)-3-methoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]methyl]benzenesulfonamide
CID 123379906
amino-[3-[[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]methyl]phenyl]-oxoazanium
CID 123845272
ethyl 2-[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]acetate
CID 67464918
2-[2-ethoxy-3-methoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]acetic acid
CID 123913920
N-[[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]methyl]benzamide
CID 123360585
2-[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]ethyl 3,3-dimethylbutanoate
CID 67464821
[1-[[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]methyl]cyclopropyl] acetate
CID 67465513
4-(3-ethoxy-2,4-dimethoxyphenyl)-2,3-dihydroinden-1-one;5-[4-ethoxy-3-methoxy-2-[(4-methylsulfonylphenyl)methoxy]phenyl]-3H-2-benzofuran-1-one
CID 118952899
2-methylpropyl 2-[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]-2-methylpropanoate
CID 67467224
4-[[2,3-dimethoxy-6-(1-oxo-2,3-dihydroisoindol-5-yl)phenoxy]methyl]-N-methylbenzamide
CID 67468641
1-[1-[3-methoxy-6-(1-oxo-3H-2-benzofuran-5-yl)-2-(trideuteriomethoxy)phenoxy]ethyl]cyclobutane-1-carboxylic acid
CID 123203515
propan-2-yl 3-[2-(dideuteriomethoxy)-3-methoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]-2,2-dimethylpropanoate
CID 87410261

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(difluoromethoxy)-3-methoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]methyl]benzamide?
The IUPAC name of 4-[[2-(difluoromethoxy)-3-methoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]methyl]benzamide (CID 70170490) is 4-[[2-(difluoromethoxy)-3-methoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]methyl]benzamide.
What is the SMILES notation for 4-[[2-(difluoromethoxy)-3-methoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]methyl]benzamide?
The canonical SMILES for 4-[[2-(difluoromethoxy)-3-methoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]methyl]benzamide is COc1ccc(-c2ccc3c(c2)COC3=O)c(OCc2ccc(C(N)=O)cc2)c1OC(F)F.
What is the InChIKey of 4-[[2-(difluoromethoxy)-3-methoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]methyl]benzamide?
The InChIKey is WKHFTTTXRIXHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2NO6/c1-30-19-9-8-17(15-6-7-18-16(10-15)12-32-23(18)29)20(21(19)33-24(25)26)31-11-13-2-4-14(5-3-13)22(27)28/h2-10,24H,11-12H2,1H3,(H2,27,28).
What are the key properties of 4-[[2-(difluoromethoxy)-3-methoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]methyl]benzamide?
4-[[2-(difluoromethoxy)-3-methoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]methyl]benzamide has a molecular weight of 455.41 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(difluoromethoxy)-3-methoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]methyl]benzamide is sourced from PubChem (CID 70170490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).