4-(3-fluoro-4-propanoylphenoxy)-2,2-dimethyl-N-(1-methylpyrazol-3-yl)-3H-1-benzofuran-6-carboxamide

C24H24FN3O4 — CID 58146251

IUPAC4-(3-fluoro-4-propanoylphenoxy)-2,2-dimethyl-N-(1-methylpyrazol-3-yl)-3H-1-benzofuran-6-carboxamide
SMILESCCC(=O)c1ccc(Oc2cc(C(=O)Nc3ccn(C)n3)cc3c2CC(C)(C)O3)cc1F
InChIInChI=1S/C24H24FN3O4/c1-5-19(29)16-7-6-15(12-18(16)25)31-20-10-14(11-21-17(20)13-24(2,3)32-21)23(30)26-22-8-9-28(4)27-22/h6-12H,5,13H2,1-4H3,(H,26,27,30)
InChIKeyGLJPEZUBGMZFFO-UHFFFAOYSA-N
MW437.47 g/mol
LogP4.91
Rot. Bonds6

About 4-(3-fluoro-4-propanoylphenoxy)-2,2-dimethyl-N-(1-methylpyrazol-3-yl)-3H-1-benzofuran-6-carboxamide

4-(3-fluoro-4-propanoylphenoxy)-2,2-dimethyl-N-(1-methylpyrazol-3-yl)-3H-1-benzofuran-6-carboxamide (PubChem CID 58146251) has the molecular formula C24H24FN3O4 and a molecular weight of 437.47 g/mol. Its IUPAC name is 4-(3-fluoro-4-propanoylphenoxy)-2,2-dimethyl-N-(1-methylpyrazol-3-yl)-3H-1-benzofuran-6-carboxamide.

Molecular Properties

Compound Name4-(3-fluoro-4-propanoylphenoxy)-2,2-dimethyl-N-(1-methylpyrazol-3-yl)-3H-1-benzofuran-6-carboxamide
PubChem CID58146251
Molecular FormulaC24H24FN3O4
Molecular Weight437.47 g/mol
Exact Mass437.18
IUPAC Name4-(3-fluoro-4-propanoylphenoxy)-2,2-dimethyl-N-(1-methylpyrazol-3-yl)-3H-1-benzofuran-6-carboxamide
SMILESCCC(=O)c1ccc(Oc2cc(C(=O)Nc3ccn(C)n3)cc3c2CC(C)(C)O3)cc1F
InChIInChI=1S/C24H24FN3O4/c1-5-19(29)16-7-6-15(12-18(16)25)31-20-10-14(11-21-17(20)13-24(2,3)32-21)23(30)26-22-8-9-28(4)27-22/h6-12H,5,13H2,1-4H3,(H,26,27,30)
InChIKeyGLJPEZUBGMZFFO-UHFFFAOYSA-N
XLogP4.91
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.47
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(3-fluoro-4-propanoylphenoxy)-2,2-dimethyl-N-(1-methylpyrazol-3-yl)-3H-1-benzofuran-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-propanoylphenoxy)-2,2-dimethyl-N-(1-methylpyrazol-3-yl)-3H-1-benzofuran-6-carboxamide?
The IUPAC name of 4-(3-fluoro-4-propanoylphenoxy)-2,2-dimethyl-N-(1-methylpyrazol-3-yl)-3H-1-benzofuran-6-carboxamide (CID 58146251) is 4-(3-fluoro-4-propanoylphenoxy)-2,2-dimethyl-N-(1-methylpyrazol-3-yl)-3H-1-benzofuran-6-carboxamide.
What is the SMILES notation for 4-(3-fluoro-4-propanoylphenoxy)-2,2-dimethyl-N-(1-methylpyrazol-3-yl)-3H-1-benzofuran-6-carboxamide?
The canonical SMILES for 4-(3-fluoro-4-propanoylphenoxy)-2,2-dimethyl-N-(1-methylpyrazol-3-yl)-3H-1-benzofuran-6-carboxamide is CCC(=O)c1ccc(Oc2cc(C(=O)Nc3ccn(C)n3)cc3c2CC(C)(C)O3)cc1F.
What is the InChIKey of 4-(3-fluoro-4-propanoylphenoxy)-2,2-dimethyl-N-(1-methylpyrazol-3-yl)-3H-1-benzofuran-6-carboxamide?
The InChIKey is GLJPEZUBGMZFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O4/c1-5-19(29)16-7-6-15(12-18(16)25)31-20-10-14(11-21-17(20)13-24(2,3)32-21)23(30)26-22-8-9-28(4)27-22/h6-12H,5,13H2,1-4H3,(H,26,27,30).
What are the key properties of 4-(3-fluoro-4-propanoylphenoxy)-2,2-dimethyl-N-(1-methylpyrazol-3-yl)-3H-1-benzofuran-6-carboxamide?
4-(3-fluoro-4-propanoylphenoxy)-2,2-dimethyl-N-(1-methylpyrazol-3-yl)-3H-1-benzofuran-6-carboxamide has a molecular weight of 437.47 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-propanoylphenoxy)-2,2-dimethyl-N-(1-methylpyrazol-3-yl)-3H-1-benzofuran-6-carboxamide is sourced from PubChem (CID 58146251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).