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

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

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

Launch Full Analysis

Related Compounds

3-(cyclopentanecarbonylamino)-N-(4-fluorophenyl)-1-benzofuran-2-carboxamide
CID 3241032
N-(3-chloro-4-fluorophenyl)-3-(cyclopropanecarbonylamino)-1-benzofuran-2-carboxamide
CID 7200191
3-(cyclopentanecarbonylamino)-N-(4-nitrophenyl)-1-benzofuran-2-carboxamide
CID 7160097
3-(butanoylamino)-N-(4-fluorophenyl)-1-benzofuran-2-carboxamide
CID 7117000
N-(4-fluorophenyl)-3-formamido-1-benzofuran-2-carboxamide
CID 142812091
(5-chloro-2-pyridinyl) 3-[[4-(dimethylamino)cyclohexanecarbonyl]amino]-1-benzofuran-2-carboxylate
CID 70925292
3-[(2-bromobenzoyl)amino]-N-(4-fluorophenyl)-1-benzofuran-2-carboxamide
CID 16814568
N-[2-[(4-fluorophenyl)carbamoyl]-1-benzofuran-3-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 46300000
3-[[4-(dimethylamino)cyclohexanecarbonyl]amino]-5-nitro-N-pyridin-2-yl-1-benzofuran-2-carboxamide
CID 10310512
N-(4-fluorophenyl)-3-[[2-(3-methylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 20875320
3-[[(2S)-oxolane-2-carbonyl]amino]-N-[4-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxamide
CID 41106040
N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]cyclohexanecarboxamide
CID 20925892

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).