2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide

C21H21FN2O3 — CID 24978936

IUPAC2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide
SMILESCc1cc2occ(CC(=O)N(C)CC(=O)Nc3ccc(F)cc3)c2cc1C
InChIInChI=1S/C21H21FN2O3/c1-13-8-18-15(12-27-19(18)9-14(13)2)10-21(26)24(3)11-20(25)23-17-6-4-16(22)5-7-17/h4-9,12H,10-11H2,1-3H3,(H,23,25)
InChIKeyLZOQVTWQHCHWNP-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.83
Rot. Bonds5

About 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide

2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide (PubChem CID 24978936) has the molecular formula C21H21FN2O3 and a molecular weight of 368.41 g/mol. Its IUPAC name is 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide
PubChem CID24978936
Molecular FormulaC21H21FN2O3
Molecular Weight368.41 g/mol
Exact Mass368.15
IUPAC Name2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide
SMILESCc1cc2occ(CC(=O)N(C)CC(=O)Nc3ccc(F)cc3)c2cc1C
InChIInChI=1S/C21H21FN2O3/c1-13-8-18-15(12-27-19(18)9-14(13)2)10-21(26)24(3)11-20(25)23-17-6-4-16(22)5-7-17/h4-9,12H,10-11H2,1-3H3,(H,23,25)
InChIKeyLZOQVTWQHCHWNP-UHFFFAOYSA-N
XLogP3.83
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide with MolForge

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Related Compounds

6-(4-(4-(6-Fluoronaphthalen-1-yl)piperazin-1-yl)butoxy)-5-methylisoindolin-1-one
CID 52945840
6-(3-(4-(6-Fluoronaphthalen-1-yl)piperazin-1-yl)propoxy)-5-methylisoindolin-1-one
CID 52948256
1-[4-(4-Methoxyphenyl)piperazin-1-yl]-2-(6-methyl-1-benzofuran-3-yl)ethanone
CID 2467896
2-(6-Methyl-1-benzofuran-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 2546081
N-(4-acetamidophenyl)-3,5,6-trimethyl-1-benzofuran-2-carboxamide
CID 975543
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3,6,7-trimethyl-1-benzofuran-2-carboxamide
CID 986574
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3,4,6-trimethyl-1-benzofuran-2-carboxamide
CID 986577
1-(2-Methoxyphenyl)-4-[(3,5,6-trimethyl-1-benzofuran-2-yl)carbonyl]piperazine
CID 1034153
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3,5,6-trimethyl-1-benzofuran-2-carboxamide
CID 1305755
1-[(6-Methyl-1-benzofuran-3-yl)acetyl]indoline
CID 2080542
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 2081485
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(2,5-dimethylphenyl)acetamide
CID 2413310

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide?
The IUPAC name of 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide (CID 24978936) is 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide.
What is the SMILES notation for 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide?
The canonical SMILES for 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide is Cc1cc2occ(CC(=O)N(C)CC(=O)Nc3ccc(F)cc3)c2cc1C.
What is the InChIKey of 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide?
The InChIKey is LZOQVTWQHCHWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O3/c1-13-8-18-15(12-27-19(18)9-14(13)2)10-21(26)24(3)11-20(25)23-17-6-4-16(22)5-7-17/h4-9,12H,10-11H2,1-3H3,(H,23,25).
What are the key properties of 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide?
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide has a molecular weight of 368.41 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide is sourced from PubChem (CID 24978936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).