3-[[4-(dimethylamino)cyclohexanecarbonyl]amino]-N-(4-fluorophenyl)-1-benzofuran-2-carboxamide

C24H26FN3O3 — CID 10238043

IUPAC3-[[4-(dimethylamino)cyclohexanecarbonyl]amino]-N-(4-fluorophenyl)-1-benzofuran-2-carboxamide
SMILESCN(C)C1CCC(C(=O)Nc2c(C(=O)Nc3ccc(F)cc3)oc3ccccc23)CC1
InChIInChI=1S/C24H26FN3O3/c1-28(2)18-13-7-15(8-14-18)23(29)27-21-19-5-3-4-6-20(19)31-22(21)24(30)26-17-11-9-16(25)10-12-17/h3-6,9-12,15,18H,7-8,13-14H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyHKSVYTMCBPJVKY-UHFFFAOYSA-N
MW423.49 g/mol
LogP4.88
Rot. Bonds5

About 3-[[4-(dimethylamino)cyclohexanecarbonyl]amino]-N-(4-fluorophenyl)-1-benzofuran-2-carboxamide

3-[[4-(dimethylamino)cyclohexanecarbonyl]amino]-N-(4-fluorophenyl)-1-benzofuran-2-carboxamide (PubChem CID 10238043) has the molecular formula C24H26FN3O3 and a molecular weight of 423.49 g/mol. Its IUPAC name is 3-[[4-(dimethylamino)cyclohexanecarbonyl]amino]-N-(4-fluorophenyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-[[4-(dimethylamino)cyclohexanecarbonyl]amino]-N-(4-fluorophenyl)-1-benzofuran-2-carboxamide
PubChem CID10238043
Molecular FormulaC24H26FN3O3
Molecular Weight423.49 g/mol
Exact Mass423.20
IUPAC Name3-[[4-(dimethylamino)cyclohexanecarbonyl]amino]-N-(4-fluorophenyl)-1-benzofuran-2-carboxamide
SMILESCN(C)C1CCC(C(=O)Nc2c(C(=O)Nc3ccc(F)cc3)oc3ccccc23)CC1
InChIInChI=1S/C24H26FN3O3/c1-28(2)18-13-7-15(8-14-18)23(29)27-21-19-5-3-4-6-20(19)31-22(21)24(30)26-17-11-9-16(25)10-12-17/h3-6,9-12,15,18H,7-8,13-14H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyHKSVYTMCBPJVKY-UHFFFAOYSA-N
XLogP4.88
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(dimethylamino)cyclohexanecarbonyl]amino]-N-(4-fluorophenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3-[[4-(dimethylamino)cyclohexanecarbonyl]amino]-N-(4-fluorophenyl)-1-benzofuran-2-carboxamide (CID 10238043) is 3-[[4-(dimethylamino)cyclohexanecarbonyl]amino]-N-(4-fluorophenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-[[4-(dimethylamino)cyclohexanecarbonyl]amino]-N-(4-fluorophenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-[[4-(dimethylamino)cyclohexanecarbonyl]amino]-N-(4-fluorophenyl)-1-benzofuran-2-carboxamide is CN(C)C1CCC(C(=O)Nc2c(C(=O)Nc3ccc(F)cc3)oc3ccccc23)CC1.
What is the InChIKey of 3-[[4-(dimethylamino)cyclohexanecarbonyl]amino]-N-(4-fluorophenyl)-1-benzofuran-2-carboxamide?
The InChIKey is HKSVYTMCBPJVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O3/c1-28(2)18-13-7-15(8-14-18)23(29)27-21-19-5-3-4-6-20(19)31-22(21)24(30)26-17-11-9-16(25)10-12-17/h3-6,9-12,15,18H,7-8,13-14H2,1-2H3,(H,26,30)(H,27,29).
What are the key properties of 3-[[4-(dimethylamino)cyclohexanecarbonyl]amino]-N-(4-fluorophenyl)-1-benzofuran-2-carboxamide?
3-[[4-(dimethylamino)cyclohexanecarbonyl]amino]-N-(4-fluorophenyl)-1-benzofuran-2-carboxamide has a molecular weight of 423.49 g/mol, XLogP of 4.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(dimethylamino)cyclohexanecarbonyl]amino]-N-(4-fluorophenyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 10238043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).