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

C21H21FN2O3 — CID 9440831

IUPAC2-(6-ethyl-1-benzofuran-3-yl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide
SMILESCCc1ccc2c(CC(=O)N(C)CC(=O)Nc3ccc(F)cc3)coc2c1
InChIInChI=1S/C21H21FN2O3/c1-3-14-4-9-18-15(13-27-19(18)10-14)11-21(26)24(2)12-20(25)23-17-7-5-16(22)6-8-17/h4-10,13H,3,11-12H2,1-2H3,(H,23,25)
InChIKeyPXNAOCFCBUNGRL-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.77
Rot. Bonds6

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

2-(6-ethyl-1-benzofuran-3-yl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide (PubChem CID 9440831) has the molecular formula C21H21FN2O3 and a molecular weight of 368.41 g/mol. Its IUPAC name is 2-(6-ethyl-1-benzofuran-3-yl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(6-ethyl-1-benzofuran-3-yl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide
PubChem CID9440831
Molecular FormulaC21H21FN2O3
Molecular Weight368.41 g/mol
Exact Mass368.15
IUPAC Name2-(6-ethyl-1-benzofuran-3-yl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide
SMILESCCc1ccc2c(CC(=O)N(C)CC(=O)Nc3ccc(F)cc3)coc2c1
InChIInChI=1S/C21H21FN2O3/c1-3-14-4-9-18-15(13-27-19(18)10-14)11-21(26)24(2)12-20(25)23-17-7-5-16(22)6-8-17/h4-10,13H,3,11-12H2,1-2H3,(H,23,25)
InChIKeyPXNAOCFCBUNGRL-UHFFFAOYSA-N
XLogP3.77
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate
CID 8525379
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide
CID 9440899
2-(6-ethyl-1-benzofuran-3-yl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide
CID 9219883
N-tert-butyl-N-[2-(4-fluoroanilino)-2-oxoethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 75457324
2-(4-chlorophenyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide
CID 8503168
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate
CID 8525541
2-(6-ethyl-1-benzofuran-3-yl)acetic acid
CID 2393677
N-[2-(4-fluoroanilino)-2-oxoethyl]-2-(2-fluorophenyl)-N-methylacetamide
CID 8503180
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 27226969
N-(1,3-benzodioxol-5-ylmethyl)-2-(6-ethyl-1-benzofuran-3-yl)-N-methylacetamide
CID 18116195
2-(6-ethyl-1-benzofuran-3-yl)-N-(4-morpholin-4-ylphenyl)acetamide
CID 8851829
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylacetamide
CID 9439235

Frequently Asked Questions

What is the IUPAC name of 2-(6-ethyl-1-benzofuran-3-yl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide?
The IUPAC name of 2-(6-ethyl-1-benzofuran-3-yl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide (CID 9440831) is 2-(6-ethyl-1-benzofuran-3-yl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide.
What is the SMILES notation for 2-(6-ethyl-1-benzofuran-3-yl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide?
The canonical SMILES for 2-(6-ethyl-1-benzofuran-3-yl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide is CCc1ccc2c(CC(=O)N(C)CC(=O)Nc3ccc(F)cc3)coc2c1.
What is the InChIKey of 2-(6-ethyl-1-benzofuran-3-yl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide?
The InChIKey is PXNAOCFCBUNGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O3/c1-3-14-4-9-18-15(13-27-19(18)10-14)11-21(26)24(2)12-20(25)23-17-7-5-16(22)6-8-17/h4-10,13H,3,11-12H2,1-2H3,(H,23,25).
What are the key properties of 2-(6-ethyl-1-benzofuran-3-yl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide?
2-(6-ethyl-1-benzofuran-3-yl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide has a molecular weight of 368.41 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethyl-1-benzofuran-3-yl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide is sourced from PubChem (CID 9440831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).