[2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 5-fluoro-3-methyl-1-benzofuran-2-carboxylate

C19H23FN2O5 — CID 8567398

IUPAC[2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 5-fluoro-3-methyl-1-benzofuran-2-carboxylate
SMILESCCN(CC)C(=O)CN(C)C(=O)COC(=O)c1oc2ccc(F)cc2c1C
InChIInChI=1S/C19H23FN2O5/c1-5-22(6-2)16(23)10-21(4)17(24)11-26-19(25)18-12(3)14-9-13(20)7-8-15(14)27-18/h7-9H,5-6,10-11H2,1-4H3
InChIKeyCFEPWVDHCKWHJI-UHFFFAOYSA-N
MW378.40 g/mol
LogP2.36
Rot. Bonds7

About [2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 5-fluoro-3-methyl-1-benzofuran-2-carboxylate

[2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 5-fluoro-3-methyl-1-benzofuran-2-carboxylate (PubChem CID 8567398) has the molecular formula C19H23FN2O5 and a molecular weight of 378.40 g/mol. Its IUPAC name is [2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 5-fluoro-3-methyl-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name[2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 5-fluoro-3-methyl-1-benzofuran-2-carboxylate
PubChem CID8567398
Molecular FormulaC19H23FN2O5
Molecular Weight378.40 g/mol
Exact Mass378.16
IUPAC Name[2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 5-fluoro-3-methyl-1-benzofuran-2-carboxylate
SMILESCCN(CC)C(=O)CN(C)C(=O)COC(=O)c1oc2ccc(F)cc2c1C
InChIInChI=1S/C19H23FN2O5/c1-5-22(6-2)16(23)10-21(4)17(24)11-26-19(25)18-12(3)14-9-13(20)7-8-15(14)27-18/h7-9H,5-6,10-11H2,1-4H3
InChIKeyCFEPWVDHCKWHJI-UHFFFAOYSA-N
XLogP2.36
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 5-fluoro-3-methyl-1-benzofuran-2-carboxylate with MolForge

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Related Compounds

1-(4-Ethylpiperazin-1-yl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)ethanone
CID 2411958
[1-[Benzyl(methyl)amino]-1-oxopropan-2-yl] 3-methyl-1-benzofuran-2-carboxylate
CID 4537700
[2-(2-Methylpiperidin-1-yl)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
CID 16506284
Benzofuran-2-carboxylic acid 3-dimethylamino-propyl ester
CID 2913774
[2-(2,6-Dimethylmorpholin-4-yl)-2-oxoethyl] 5-bromo-3-methyl-1-benzofuran-2-carboxylate
CID 2999450
Ethyl 1-[2-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)oxyacetyl]piperidine-4-carboxylate
CID 4019132
[1-(4-Methylpiperidin-1-yl)-1-oxopropan-2-yl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
CID 4786229
3-Methyl-benzofuran-2-carboxylic acid 3-dimethylamino-1-methyl-propyl ester
CID 6602579
2-Piperidin-1-ylethyl 1-benzofuran-2-carboxylate hydrochloride
CID 6603492
[2-[Cyclohexyl(ethyl)amino]-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
CID 7186969
[2-[Cyclohexyl(methyl)amino]-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
CID 7186976
[2-Oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
CID 7270223

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 5-fluoro-3-methyl-1-benzofuran-2-carboxylate?
The IUPAC name of [2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 5-fluoro-3-methyl-1-benzofuran-2-carboxylate (CID 8567398) is [2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 5-fluoro-3-methyl-1-benzofuran-2-carboxylate.
What is the SMILES notation for [2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 5-fluoro-3-methyl-1-benzofuran-2-carboxylate?
The canonical SMILES for [2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 5-fluoro-3-methyl-1-benzofuran-2-carboxylate is CCN(CC)C(=O)CN(C)C(=O)COC(=O)c1oc2ccc(F)cc2c1C.
What is the InChIKey of [2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 5-fluoro-3-methyl-1-benzofuran-2-carboxylate?
The InChIKey is CFEPWVDHCKWHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O5/c1-5-22(6-2)16(23)10-21(4)17(24)11-26-19(25)18-12(3)14-9-13(20)7-8-15(14)27-18/h7-9H,5-6,10-11H2,1-4H3.
What are the key properties of [2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 5-fluoro-3-methyl-1-benzofuran-2-carboxylate?
[2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 5-fluoro-3-methyl-1-benzofuran-2-carboxylate has a molecular weight of 378.40 g/mol, XLogP of 2.36, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 5-fluoro-3-methyl-1-benzofuran-2-carboxylate is sourced from PubChem (CID 8567398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).