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

C20H18FNO4 — CID 3149337

IUPAC[2-(4-fluorophenyl)-2-oxoethyl] 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCc1ccc(N2CC(C(=O)OCC(=O)c3ccc(F)cc3)CC2=O)cc1
InChIInChI=1S/C20H18FNO4/c1-13-2-8-17(9-3-13)22-11-15(10-19(22)24)20(25)26-12-18(23)14-4-6-16(21)7-5-14/h2-9,15H,10-12H2,1H3
InChIKeyBYRTVXWQFHOSMX-UHFFFAOYSA-N
MW355.37 g/mol
LogP2.91
Rot. Bonds5

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

[2-(4-fluorophenyl)-2-oxoethyl] 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 3149337) has the molecular formula C20H18FNO4 and a molecular weight of 355.37 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-2-oxoethyl] 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-2-oxoethyl] 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
PubChem CID3149337
Molecular FormulaC20H18FNO4
Molecular Weight355.37 g/mol
Exact Mass355.12
IUPAC Name[2-(4-fluorophenyl)-2-oxoethyl] 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCc1ccc(N2CC(C(=O)OCC(=O)c3ccc(F)cc3)CC2=O)cc1
InChIInChI=1S/C20H18FNO4/c1-13-2-8-17(9-3-13)22-11-15(10-19(22)24)20(25)26-12-18(23)14-4-6-16(21)7-5-14/h2-9,15H,10-12H2,1H3
InChIKeyBYRTVXWQFHOSMX-UHFFFAOYSA-N
XLogP2.91
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-2-oxoethyl] 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of [2-(4-fluorophenyl)-2-oxoethyl] 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate (CID 3149337) is [2-(4-fluorophenyl)-2-oxoethyl] 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for [2-(4-fluorophenyl)-2-oxoethyl] 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for [2-(4-fluorophenyl)-2-oxoethyl] 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate is Cc1ccc(N2CC(C(=O)OCC(=O)c3ccc(F)cc3)CC2=O)cc1.
What is the InChIKey of [2-(4-fluorophenyl)-2-oxoethyl] 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is BYRTVXWQFHOSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO4/c1-13-2-8-17(9-3-13)22-11-15(10-19(22)24)20(25)26-12-18(23)14-4-6-16(21)7-5-14/h2-9,15H,10-12H2,1H3.
What are the key properties of [2-(4-fluorophenyl)-2-oxoethyl] 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate?
[2-(4-fluorophenyl)-2-oxoethyl] 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 355.37 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-2-oxoethyl] 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 3149337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).