2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide

C21H21FN2O3 — CID 9440899

IUPAC2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide
SMILESCc1ccc2c(CC(=O)N(C)CC(=O)Nc3ccc(F)cc3)coc2c1C
InChIInChI=1S/C21H21FN2O3/c1-13-4-9-18-15(12-27-21(18)14(13)2)10-20(26)24(3)11-19(25)23-17-7-5-16(22)6-8-17/h4-9,12H,10-11H2,1-3H3,(H,23,25)
InChIKeyVBWICKXZCWVUES-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.83
Rot. Bonds5

About 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide

2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide (PubChem CID 9440899) has the molecular formula C21H21FN2O3 and a molecular weight of 368.41 g/mol. Its IUPAC name is 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide
PubChem CID9440899
Molecular FormulaC21H21FN2O3
Molecular Weight368.41 g/mol
Exact Mass368.15
IUPAC Name2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide
SMILESCc1ccc2c(CC(=O)N(C)CC(=O)Nc3ccc(F)cc3)coc2c1C
InChIInChI=1S/C21H21FN2O3/c1-13-4-9-18-15(12-27-21(18)14(13)2)10-20(26)24(3)11-19(25)23-17-7-5-16(22)6-8-17/h4-9,12H,10-11H2,1-3H3,(H,23,25)
InChIKeyVBWICKXZCWVUES-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-(6,7-dimethyl-1-benzofuran-3-yl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide with MolForge

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Related Compounds

2-(6,7-dimethyl-1-benzofuran-3-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 27226969
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylacetamide
CID 9439235
2-(6-ethyl-1-benzofuran-3-yl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide
CID 9440831
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide
CID 111543243
N-[2-(4-fluoroanilino)-2-oxoethyl]-2-(2-fluorophenyl)-N-methylacetamide
CID 8503180
N-[4-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]phenyl]cyclopropanecarboxamide
CID 17441796
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 109388466
N-(1-aminopropan-2-yl)-2-(6,7-dimethyl-1-benzofuran-3-yl)-N-methylacetamide
CID 119583813
2-(4-chlorophenyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide
CID 8503168
N-tert-butyl-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 8779926
N'-acetyl-2-(6,7-dimethyl-1-benzofuran-3-yl)acetohydrazide
CID 17435910
4-(3,4-dimethylphenyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-4-oxobutanamide
CID 9426993

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide?
The IUPAC name of 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide (CID 9440899) is 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide.
What is the SMILES notation for 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide?
The canonical SMILES for 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide is Cc1ccc2c(CC(=O)N(C)CC(=O)Nc3ccc(F)cc3)coc2c1C.
What is the InChIKey of 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide?
The InChIKey is VBWICKXZCWVUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O3/c1-13-4-9-18-15(12-27-21(18)14(13)2)10-20(26)24(3)11-19(25)23-17-7-5-16(22)6-8-17/h4-9,12H,10-11H2,1-3H3,(H,23,25).
What are the key properties of 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide?
2-(6,7-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-(6,7-dimethyl-1-benzofuran-3-yl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide is sourced from PubChem (CID 9440899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).