[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 1-(2-butan-2-ylphenyl)-5-oxopyrrolidine-3-carboxylate

C24H26FN3O5 — CID 42903767

IUPAC[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 1-(2-butan-2-ylphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCCC(C)c1ccccc1N1CC(C(=O)OCC(=O)NC(=O)Nc2ccccc2F)CC1=O
InChIInChI=1S/C24H26FN3O5/c1-3-15(2)17-8-4-7-11-20(17)28-13-16(12-22(28)30)23(31)33-14-21(29)27-24(32)26-19-10-6-5-9-18(19)25/h4-11,15-16H,3,12-14H2,1-2H3,(H2,26,27,29,32)
InChIKeyXNNKLPQQOIDFAY-UHFFFAOYSA-N
MW455.49 g/mol
LogP3.58
Rot. Bonds7

About [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 1-(2-butan-2-ylphenyl)-5-oxopyrrolidine-3-carboxylate

[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 1-(2-butan-2-ylphenyl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 42903767) has the molecular formula C24H26FN3O5 and a molecular weight of 455.49 g/mol. Its IUPAC name is [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 1-(2-butan-2-ylphenyl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 1-(2-butan-2-ylphenyl)-5-oxopyrrolidine-3-carboxylate
PubChem CID42903767
Molecular FormulaC24H26FN3O5
Molecular Weight455.49 g/mol
Exact Mass455.19
IUPAC Name[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 1-(2-butan-2-ylphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCCC(C)c1ccccc1N1CC(C(=O)OCC(=O)NC(=O)Nc2ccccc2F)CC1=O
InChIInChI=1S/C24H26FN3O5/c1-3-15(2)17-8-4-7-11-20(17)28-13-16(12-22(28)30)23(31)33-14-21(29)27-24(32)26-19-10-6-5-9-18(19)25/h4-11,15-16H,3,12-14H2,1-2H3,(H2,26,27,29,32)
InChIKeyXNNKLPQQOIDFAY-UHFFFAOYSA-N
XLogP3.58
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.49
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 1-(2-butan-2-ylphenyl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 1-(2-butan-2-ylphenyl)-5-oxopyrrolidine-3-carboxylate (CID 42903767) is [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 1-(2-butan-2-ylphenyl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 1-(2-butan-2-ylphenyl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 1-(2-butan-2-ylphenyl)-5-oxopyrrolidine-3-carboxylate is CCC(C)c1ccccc1N1CC(C(=O)OCC(=O)NC(=O)Nc2ccccc2F)CC1=O.
What is the InChIKey of [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 1-(2-butan-2-ylphenyl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is XNNKLPQQOIDFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O5/c1-3-15(2)17-8-4-7-11-20(17)28-13-16(12-22(28)30)23(31)33-14-21(29)27-24(32)26-19-10-6-5-9-18(19)25/h4-11,15-16H,3,12-14H2,1-2H3,(H2,26,27,29,32).
What are the key properties of [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 1-(2-butan-2-ylphenyl)-5-oxopyrrolidine-3-carboxylate?
[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 1-(2-butan-2-ylphenyl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 455.49 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 1-(2-butan-2-ylphenyl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 42903767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).