4-[4-(dimethylcarbamoyl)-3,5-difluorophenoxy]-2,2-dimethyl-N-(1-methylpyrazol-3-yl)-3H-1-benzofuran-6-carboxamide

C24H24F2N4O4 — CID 25106377

IUPAC4-[4-(dimethylcarbamoyl)-3,5-difluorophenoxy]-2,2-dimethyl-N-(1-methylpyrazol-3-yl)-3H-1-benzofuran-6-carboxamide
SMILESCN(C)C(=O)c1c(F)cc(Oc2cc(C(=O)Nc3ccn(C)n3)cc3c2CC(C)(C)O3)cc1F
InChIInChI=1S/C24H24F2N4O4/c1-24(2)12-15-18(33-14-10-16(25)21(17(26)11-14)23(32)29(3)4)8-13(9-19(15)34-24)22(31)27-20-6-7-30(5)28-20/h6-11H,12H2,1-5H3,(H,27,28,31)
InChIKeyWLZYCTBILJOYEV-UHFFFAOYSA-N
MW470.48 g/mol
LogP4.16
Rot. Bonds5

About 4-[4-(dimethylcarbamoyl)-3,5-difluorophenoxy]-2,2-dimethyl-N-(1-methylpyrazol-3-yl)-3H-1-benzofuran-6-carboxamide

4-[4-(dimethylcarbamoyl)-3,5-difluorophenoxy]-2,2-dimethyl-N-(1-methylpyrazol-3-yl)-3H-1-benzofuran-6-carboxamide (PubChem CID 25106377) has the molecular formula C24H24F2N4O4 and a molecular weight of 470.48 g/mol. Its IUPAC name is 4-[4-(dimethylcarbamoyl)-3,5-difluorophenoxy]-2,2-dimethyl-N-(1-methylpyrazol-3-yl)-3H-1-benzofuran-6-carboxamide.

Molecular Properties

Compound Name4-[4-(dimethylcarbamoyl)-3,5-difluorophenoxy]-2,2-dimethyl-N-(1-methylpyrazol-3-yl)-3H-1-benzofuran-6-carboxamide
PubChem CID25106377
Molecular FormulaC24H24F2N4O4
Molecular Weight470.48 g/mol
Exact Mass470.18
IUPAC Name4-[4-(dimethylcarbamoyl)-3,5-difluorophenoxy]-2,2-dimethyl-N-(1-methylpyrazol-3-yl)-3H-1-benzofuran-6-carboxamide
SMILESCN(C)C(=O)c1c(F)cc(Oc2cc(C(=O)Nc3ccn(C)n3)cc3c2CC(C)(C)O3)cc1F
InChIInChI=1S/C24H24F2N4O4/c1-24(2)12-15-18(33-14-10-16(25)21(17(26)11-14)23(32)29(3)4)8-13(9-19(15)34-24)22(31)27-20-6-7-30(5)28-20/h6-11H,12H2,1-5H3,(H,27,28,31)
InChIKeyWLZYCTBILJOYEV-UHFFFAOYSA-N
XLogP4.16
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.48
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylcarbamoyl)-3,5-difluorophenoxy]-2,2-dimethyl-N-(1-methylpyrazol-3-yl)-3H-1-benzofuran-6-carboxamide?
The IUPAC name of 4-[4-(dimethylcarbamoyl)-3,5-difluorophenoxy]-2,2-dimethyl-N-(1-methylpyrazol-3-yl)-3H-1-benzofuran-6-carboxamide (CID 25106377) is 4-[4-(dimethylcarbamoyl)-3,5-difluorophenoxy]-2,2-dimethyl-N-(1-methylpyrazol-3-yl)-3H-1-benzofuran-6-carboxamide.
What is the SMILES notation for 4-[4-(dimethylcarbamoyl)-3,5-difluorophenoxy]-2,2-dimethyl-N-(1-methylpyrazol-3-yl)-3H-1-benzofuran-6-carboxamide?
The canonical SMILES for 4-[4-(dimethylcarbamoyl)-3,5-difluorophenoxy]-2,2-dimethyl-N-(1-methylpyrazol-3-yl)-3H-1-benzofuran-6-carboxamide is CN(C)C(=O)c1c(F)cc(Oc2cc(C(=O)Nc3ccn(C)n3)cc3c2CC(C)(C)O3)cc1F.
What is the InChIKey of 4-[4-(dimethylcarbamoyl)-3,5-difluorophenoxy]-2,2-dimethyl-N-(1-methylpyrazol-3-yl)-3H-1-benzofuran-6-carboxamide?
The InChIKey is WLZYCTBILJOYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N4O4/c1-24(2)12-15-18(33-14-10-16(25)21(17(26)11-14)23(32)29(3)4)8-13(9-19(15)34-24)22(31)27-20-6-7-30(5)28-20/h6-11H,12H2,1-5H3,(H,27,28,31).
What are the key properties of 4-[4-(dimethylcarbamoyl)-3,5-difluorophenoxy]-2,2-dimethyl-N-(1-methylpyrazol-3-yl)-3H-1-benzofuran-6-carboxamide?
4-[4-(dimethylcarbamoyl)-3,5-difluorophenoxy]-2,2-dimethyl-N-(1-methylpyrazol-3-yl)-3H-1-benzofuran-6-carboxamide has a molecular weight of 470.48 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylcarbamoyl)-3,5-difluorophenoxy]-2,2-dimethyl-N-(1-methylpyrazol-3-yl)-3H-1-benzofuran-6-carboxamide is sourced from PubChem (CID 25106377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).