[2-(2-ethylanilino)-2-oxoethyl] 1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate

C21H21FN2O4 — CID 3240934

IUPAC[2-(2-ethylanilino)-2-oxoethyl] 1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCCc1ccccc1NC(=O)COC(=O)C1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C21H21FN2O4/c1-2-14-5-3-4-6-18(14)23-19(25)13-28-21(27)15-11-20(26)24(12-15)17-9-7-16(22)8-10-17/h3-10,15H,2,11-13H2,1H3,(H,23,25)
InChIKeyJGPMUIVEYXHJAE-UHFFFAOYSA-N
MW384.41 g/mol
LogP2.92
Rot. Bonds6

About [2-(2-ethylanilino)-2-oxoethyl] 1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate

[2-(2-ethylanilino)-2-oxoethyl] 1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 3240934) has the molecular formula C21H21FN2O4 and a molecular weight of 384.41 g/mol. Its IUPAC name is [2-(2-ethylanilino)-2-oxoethyl] 1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name[2-(2-ethylanilino)-2-oxoethyl] 1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate
PubChem CID3240934
Molecular FormulaC21H21FN2O4
Molecular Weight384.41 g/mol
Exact Mass384.15
IUPAC Name[2-(2-ethylanilino)-2-oxoethyl] 1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCCc1ccccc1NC(=O)COC(=O)C1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C21H21FN2O4/c1-2-14-5-3-4-6-18(14)23-19(25)13-28-21(27)15-11-20(26)24(12-15)17-9-7-16(22)8-10-17/h3-10,15H,2,11-13H2,1H3,(H,23,25)
InChIKeyJGPMUIVEYXHJAE-UHFFFAOYSA-N
XLogP2.92
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2-ethylanilino)-2-oxoethyl] 1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of [2-(2-ethylanilino)-2-oxoethyl] 1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate (CID 3240934) is [2-(2-ethylanilino)-2-oxoethyl] 1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for [2-(2-ethylanilino)-2-oxoethyl] 1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for [2-(2-ethylanilino)-2-oxoethyl] 1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate is CCc1ccccc1NC(=O)COC(=O)C1CC(=O)N(c2ccc(F)cc2)C1.
What is the InChIKey of [2-(2-ethylanilino)-2-oxoethyl] 1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is JGPMUIVEYXHJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O4/c1-2-14-5-3-4-6-18(14)23-19(25)13-28-21(27)15-11-20(26)24(12-15)17-9-7-16(22)8-10-17/h3-10,15H,2,11-13H2,1H3,(H,23,25).
What are the key properties of [2-(2-ethylanilino)-2-oxoethyl] 1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate?
[2-(2-ethylanilino)-2-oxoethyl] 1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 384.41 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethylanilino)-2-oxoethyl] 1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 3240934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).