[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 5-oxopyrrolidine-2-carboxylate

C14H14F2N2O5 — CID 4194325

IUPAC[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 5-oxopyrrolidine-2-carboxylate
SMILESO=C(COC(=O)C1CCC(=O)N1)Nc1ccccc1OC(F)F
InChIInChI=1S/C14H14F2N2O5/c15-14(16)23-10-4-2-1-3-8(10)17-12(20)7-22-13(21)9-5-6-11(19)18-9/h1-4,9,14H,5-7H2,(H,17,20)(H,18,19)
InChIKeyHZARHYVQCFRNOK-UHFFFAOYSA-N
MW328.27 g/mol
LogP1.05
Rot. Bonds6

About [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 5-oxopyrrolidine-2-carboxylate

[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 5-oxopyrrolidine-2-carboxylate (PubChem CID 4194325) has the molecular formula C14H14F2N2O5 and a molecular weight of 328.27 g/mol. Its IUPAC name is [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 5-oxopyrrolidine-2-carboxylate.

Molecular Properties

Compound Name[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 5-oxopyrrolidine-2-carboxylate
PubChem CID4194325
Molecular FormulaC14H14F2N2O5
Molecular Weight328.27 g/mol
Exact Mass328.09
IUPAC Name[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 5-oxopyrrolidine-2-carboxylate
SMILESO=C(COC(=O)C1CCC(=O)N1)Nc1ccccc1OC(F)F
InChIInChI=1S/C14H14F2N2O5/c15-14(16)23-10-4-2-1-3-8(10)17-12(20)7-22-13(21)9-5-6-11(19)18-9/h1-4,9,14H,5-7H2,(H,17,20)(H,18,19)
InChIKeyHZARHYVQCFRNOK-UHFFFAOYSA-N
XLogP1.05
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.27
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 5-oxopyrrolidine-2-carboxylate?
The IUPAC name of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 5-oxopyrrolidine-2-carboxylate (CID 4194325) is [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 5-oxopyrrolidine-2-carboxylate.
What is the SMILES notation for [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 5-oxopyrrolidine-2-carboxylate?
The canonical SMILES for [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 5-oxopyrrolidine-2-carboxylate is O=C(COC(=O)C1CCC(=O)N1)Nc1ccccc1OC(F)F.
What is the InChIKey of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 5-oxopyrrolidine-2-carboxylate?
The InChIKey is HZARHYVQCFRNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O5/c15-14(16)23-10-4-2-1-3-8(10)17-12(20)7-22-13(21)9-5-6-11(19)18-9/h1-4,9,14H,5-7H2,(H,17,20)(H,18,19).
What are the key properties of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 5-oxopyrrolidine-2-carboxylate?
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 5-oxopyrrolidine-2-carboxylate has a molecular weight of 328.27 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 5-oxopyrrolidine-2-carboxylate is sourced from PubChem (CID 4194325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).