[2-(2,4-difluoroanilino)-2-oxoethyl] 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate

C18H16F2N2O5 — CID 3337134

IUPAC[2-(2,4-difluoroanilino)-2-oxoethyl] 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
SMILESO=C(COC(=O)C1CC(=O)N(Cc2ccco2)C1)Nc1ccc(F)cc1F
InChIInChI=1S/C18H16F2N2O5/c19-12-3-4-15(14(20)7-12)21-16(23)10-27-18(25)11-6-17(24)22(8-11)9-13-2-1-5-26-13/h1-5,7,11H,6,8-10H2,(H,21,23)
InChIKeyFIYRCNFHIXCIEI-UHFFFAOYSA-N
MW378.33 g/mol
LogP2.09
Rot. Bonds6

About [2-(2,4-difluoroanilino)-2-oxoethyl] 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate

[2-(2,4-difluoroanilino)-2-oxoethyl] 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 3337134) has the molecular formula C18H16F2N2O5 and a molecular weight of 378.33 g/mol. Its IUPAC name is [2-(2,4-difluoroanilino)-2-oxoethyl] 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name[2-(2,4-difluoroanilino)-2-oxoethyl] 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
PubChem CID3337134
Molecular FormulaC18H16F2N2O5
Molecular Weight378.33 g/mol
Exact Mass378.10
IUPAC Name[2-(2,4-difluoroanilino)-2-oxoethyl] 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
SMILESO=C(COC(=O)C1CC(=O)N(Cc2ccco2)C1)Nc1ccc(F)cc1F
InChIInChI=1S/C18H16F2N2O5/c19-12-3-4-15(14(20)7-12)21-16(23)10-27-18(25)11-6-17(24)22(8-11)9-13-2-1-5-26-13/h1-5,7,11H,6,8-10H2,(H,21,23)
InChIKeyFIYRCNFHIXCIEI-UHFFFAOYSA-N
XLogP2.09
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.33
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(2,4-difluoroanilino)-2-oxoethyl] 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of [2-(2,4-difluoroanilino)-2-oxoethyl] 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate (CID 3337134) is [2-(2,4-difluoroanilino)-2-oxoethyl] 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for [2-(2,4-difluoroanilino)-2-oxoethyl] 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for [2-(2,4-difluoroanilino)-2-oxoethyl] 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate is O=C(COC(=O)C1CC(=O)N(Cc2ccco2)C1)Nc1ccc(F)cc1F.
What is the InChIKey of [2-(2,4-difluoroanilino)-2-oxoethyl] 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is FIYRCNFHIXCIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O5/c19-12-3-4-15(14(20)7-12)21-16(23)10-27-18(25)11-6-17(24)22(8-11)9-13-2-1-5-26-13/h1-5,7,11H,6,8-10H2,(H,21,23).
What are the key properties of [2-(2,4-difluoroanilino)-2-oxoethyl] 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate?
[2-(2,4-difluoroanilino)-2-oxoethyl] 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 378.33 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-difluoroanilino)-2-oxoethyl] 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 3337134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).