[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate

C22H20FNO6 — CID 43026736

IUPAC[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate
SMILESCCOC(=O)CN(C(=O)COC(=O)c1oc2c(F)cccc2c1C)c1ccccc1
InChIInChI=1S/C22H20FNO6/c1-3-28-19(26)12-24(15-8-5-4-6-9-15)18(25)13-29-22(27)20-14(2)16-10-7-11-17(23)21(16)30-20/h4-11H,3,12-13H2,1-2H3
InChIKeyUTOFAASTVJDCSX-UHFFFAOYSA-N
MW413.40 g/mol
LogP3.63
Rot. Bonds7

About [2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate

[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate (PubChem CID 43026736) has the molecular formula C22H20FNO6 and a molecular weight of 413.40 g/mol. Its IUPAC name is [2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate
PubChem CID43026736
Molecular FormulaC22H20FNO6
Molecular Weight413.40 g/mol
Exact Mass413.13
IUPAC Name[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate
SMILESCCOC(=O)CN(C(=O)COC(=O)c1oc2c(F)cccc2c1C)c1ccccc1
InChIInChI=1S/C22H20FNO6/c1-3-28-19(26)12-24(15-8-5-4-6-9-15)18(25)13-29-22(27)20-14(2)16-10-7-11-17(23)21(16)30-20/h4-11H,3,12-13H2,1-2H3
InChIKeyUTOFAASTVJDCSX-UHFFFAOYSA-N
XLogP3.63
TPSA86.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.40
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate with MolForge

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Related Compounds

[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate
CID 8567498
[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate
CID 8567500
[2-(5-methylthiophen-2-yl)-2-oxoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate
CID 8506393
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate
CID 40766177
pyridin-2-ylmethyl 7-fluoro-3-methyl-1-benzofuran-2-carboxylate
CID 43021599
[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
CID 55643782
2-[(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)-methylamino]acetic acid
CID 43241826
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate
CID 40766303
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate
CID 46811824
[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate
CID 8567524
[2-oxo-2-(N-prop-2-enylanilino)ethyl] 5-fluoro-3-methyl-1-benzofuran-2-carboxylate
CID 8567365
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate
CID 31669374

Frequently Asked Questions

What is the IUPAC name of [2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate?
The IUPAC name of [2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate (CID 43026736) is [2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate.
What is the SMILES notation for [2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate?
The canonical SMILES for [2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate is CCOC(=O)CN(C(=O)COC(=O)c1oc2c(F)cccc2c1C)c1ccccc1.
What is the InChIKey of [2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate?
The InChIKey is UTOFAASTVJDCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FNO6/c1-3-28-19(26)12-24(15-8-5-4-6-9-15)18(25)13-29-22(27)20-14(2)16-10-7-11-17(23)21(16)30-20/h4-11H,3,12-13H2,1-2H3.
What are the key properties of [2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate?
[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate has a molecular weight of 413.40 g/mol, XLogP of 3.63, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate is sourced from PubChem (CID 43026736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).