1-[4-fluoro-3-(4-fluoroanilino)butanoyl]pyrrolidin-2-one

C14H16F2N2O2 — CID 135063478

IUPAC1-[4-fluoro-3-(4-fluoroanilino)butanoyl]pyrrolidin-2-one
SMILESO=C1CCCN1C(=O)CC(CF)Nc1ccc(F)cc1
InChIInChI=1S/C14H16F2N2O2/c15-9-12(17-11-5-3-10(16)4-6-11)8-14(20)18-7-1-2-13(18)19/h3-6,12,17H,1-2,7-9H2
InChIKeyMIIWFZLVGUFFNS-UHFFFAOYSA-N
MW282.29 g/mol
LogP2.11
Rot. Bonds5

About 1-[4-fluoro-3-(4-fluoroanilino)butanoyl]pyrrolidin-2-one

1-[4-fluoro-3-(4-fluoroanilino)butanoyl]pyrrolidin-2-one (PubChem CID 135063478) has the molecular formula C14H16F2N2O2 and a molecular weight of 282.29 g/mol. Its IUPAC name is 1-[4-fluoro-3-(4-fluoroanilino)butanoyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-fluoro-3-(4-fluoroanilino)butanoyl]pyrrolidin-2-one
PubChem CID135063478
Molecular FormulaC14H16F2N2O2
Molecular Weight282.29 g/mol
Exact Mass282.12
IUPAC Name1-[4-fluoro-3-(4-fluoroanilino)butanoyl]pyrrolidin-2-one
SMILESO=C1CCCN1C(=O)CC(CF)Nc1ccc(F)cc1
InChIInChI=1S/C14H16F2N2O2/c15-9-12(17-11-5-3-10(16)4-6-11)8-14(20)18-7-1-2-13(18)19/h3-6,12,17H,1-2,7-9H2
InChIKeyMIIWFZLVGUFFNS-UHFFFAOYSA-N
XLogP2.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-3-(4-fluoroanilino)butanoyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-fluoro-3-(4-fluoroanilino)butanoyl]pyrrolidin-2-one (CID 135063478) is 1-[4-fluoro-3-(4-fluoroanilino)butanoyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-fluoro-3-(4-fluoroanilino)butanoyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-fluoro-3-(4-fluoroanilino)butanoyl]pyrrolidin-2-one is O=C1CCCN1C(=O)CC(CF)Nc1ccc(F)cc1.
What is the InChIKey of 1-[4-fluoro-3-(4-fluoroanilino)butanoyl]pyrrolidin-2-one?
The InChIKey is MIIWFZLVGUFFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O2/c15-9-12(17-11-5-3-10(16)4-6-11)8-14(20)18-7-1-2-13(18)19/h3-6,12,17H,1-2,7-9H2.
What are the key properties of 1-[4-fluoro-3-(4-fluoroanilino)butanoyl]pyrrolidin-2-one?
1-[4-fluoro-3-(4-fluoroanilino)butanoyl]pyrrolidin-2-one has a molecular weight of 282.29 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-3-(4-fluoroanilino)butanoyl]pyrrolidin-2-one is sourced from PubChem (CID 135063478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).