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

C24H25FN4O4 — CID 25106376

IUPAC4-[4-(dimethylcarbamoyl)-3-fluorophenoxy]-2,2-dimethyl-N-(1-methylpyrazol-3-yl)-3H-1-benzofuran-6-carboxamide
SMILESCN(C)C(=O)c1ccc(Oc2cc(C(=O)Nc3ccn(C)n3)cc3c2CC(C)(C)O3)cc1F
InChIInChI=1S/C24H25FN4O4/c1-24(2)13-17-19(32-15-6-7-16(18(25)12-15)23(31)28(3)4)10-14(11-20(17)33-24)22(30)26-21-8-9-29(5)27-21/h6-12H,13H2,1-5H3,(H,26,27,30)
InChIKeyCZPHCAPOIMEUJO-UHFFFAOYSA-N
MW452.49 g/mol
LogP4.02
Rot. Bonds5

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

4-[4-(dimethylcarbamoyl)-3-fluorophenoxy]-2,2-dimethyl-N-(1-methylpyrazol-3-yl)-3H-1-benzofuran-6-carboxamide (PubChem CID 25106376) has the molecular formula C24H25FN4O4 and a molecular weight of 452.49 g/mol. Its IUPAC name is 4-[4-(dimethylcarbamoyl)-3-fluorophenoxy]-2,2-dimethyl-N-(1-methylpyrazol-3-yl)-3H-1-benzofuran-6-carboxamide.

Molecular Properties

Compound Name4-[4-(dimethylcarbamoyl)-3-fluorophenoxy]-2,2-dimethyl-N-(1-methylpyrazol-3-yl)-3H-1-benzofuran-6-carboxamide
PubChem CID25106376
Molecular FormulaC24H25FN4O4
Molecular Weight452.49 g/mol
Exact Mass452.19
IUPAC Name4-[4-(dimethylcarbamoyl)-3-fluorophenoxy]-2,2-dimethyl-N-(1-methylpyrazol-3-yl)-3H-1-benzofuran-6-carboxamide
SMILESCN(C)C(=O)c1ccc(Oc2cc(C(=O)Nc3ccn(C)n3)cc3c2CC(C)(C)O3)cc1F
InChIInChI=1S/C24H25FN4O4/c1-24(2)13-17-19(32-15-6-7-16(18(25)12-15)23(31)28(3)4)10-14(11-20(17)33-24)22(30)26-21-8-9-29(5)27-21/h6-12H,13H2,1-5H3,(H,26,27,30)
InChIKeyCZPHCAPOIMEUJO-UHFFFAOYSA-N
XLogP4.02
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.49
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[4-(dimethylcarbamoyl)-3-fluorophenoxy]-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-[4-(dimethylcarbamoyl)-3-fluorophenoxy]-2,2-dimethyl-N-(1-methylpyrazol-3-yl)-3H-1-benzofuran-6-carboxamide?
The IUPAC name of 4-[4-(dimethylcarbamoyl)-3-fluorophenoxy]-2,2-dimethyl-N-(1-methylpyrazol-3-yl)-3H-1-benzofuran-6-carboxamide (CID 25106376) is 4-[4-(dimethylcarbamoyl)-3-fluorophenoxy]-2,2-dimethyl-N-(1-methylpyrazol-3-yl)-3H-1-benzofuran-6-carboxamide.
What is the SMILES notation for 4-[4-(dimethylcarbamoyl)-3-fluorophenoxy]-2,2-dimethyl-N-(1-methylpyrazol-3-yl)-3H-1-benzofuran-6-carboxamide?
The canonical SMILES for 4-[4-(dimethylcarbamoyl)-3-fluorophenoxy]-2,2-dimethyl-N-(1-methylpyrazol-3-yl)-3H-1-benzofuran-6-carboxamide is CN(C)C(=O)c1ccc(Oc2cc(C(=O)Nc3ccn(C)n3)cc3c2CC(C)(C)O3)cc1F.
What is the InChIKey of 4-[4-(dimethylcarbamoyl)-3-fluorophenoxy]-2,2-dimethyl-N-(1-methylpyrazol-3-yl)-3H-1-benzofuran-6-carboxamide?
The InChIKey is CZPHCAPOIMEUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O4/c1-24(2)13-17-19(32-15-6-7-16(18(25)12-15)23(31)28(3)4)10-14(11-20(17)33-24)22(30)26-21-8-9-29(5)27-21/h6-12H,13H2,1-5H3,(H,26,27,30).
What are the key properties of 4-[4-(dimethylcarbamoyl)-3-fluorophenoxy]-2,2-dimethyl-N-(1-methylpyrazol-3-yl)-3H-1-benzofuran-6-carboxamide?
4-[4-(dimethylcarbamoyl)-3-fluorophenoxy]-2,2-dimethyl-N-(1-methylpyrazol-3-yl)-3H-1-benzofuran-6-carboxamide has a molecular weight of 452.49 g/mol, XLogP of 4.02, 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-fluorophenoxy]-2,2-dimethyl-N-(1-methylpyrazol-3-yl)-3H-1-benzofuran-6-carboxamide is sourced from PubChem (CID 25106376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).