2,2-difluoro-N-[(2S,3R)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide

C13H14F2N2O2 — CID 138684556

IUPAC2,2-difluoro-N-[(2S,3R)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide
SMILESCC(F)(F)C(=O)N[C@@H]1CC(=O)N[C@H]1c1ccccc1
InChIInChI=1S/C13H14F2N2O2/c1-13(14,15)12(19)16-9-7-10(18)17-11(9)8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3,(H,16,19)(H,17,18)/t9-,11+/m1/s1
InChIKeyJQIAOQWLFWCWBU-KOLCDFICSA-N
MW268.26 g/mol
LogP1.39
Rot. Bonds3

About 2,2-difluoro-N-[(2S,3R)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide

2,2-difluoro-N-[(2S,3R)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide (PubChem CID 138684556) has the molecular formula C13H14F2N2O2 and a molecular weight of 268.26 g/mol. Its IUPAC name is 2,2-difluoro-N-[(2S,3R)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name2,2-difluoro-N-[(2S,3R)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide
PubChem CID138684556
Molecular FormulaC13H14F2N2O2
Molecular Weight268.26 g/mol
Exact Mass268.10
IUPAC Name2,2-difluoro-N-[(2S,3R)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide
SMILESCC(F)(F)C(=O)N[C@@H]1CC(=O)N[C@H]1c1ccccc1
InChIInChI=1S/C13H14F2N2O2/c1-13(14,15)12(19)16-9-7-10(18)17-11(9)8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3,(H,16,19)(H,17,18)/t9-,11+/m1/s1
InChIKeyJQIAOQWLFWCWBU-KOLCDFICSA-N
XLogP1.39
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[(2S,3R)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide?
The IUPAC name of 2,2-difluoro-N-[(2S,3R)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide (CID 138684556) is 2,2-difluoro-N-[(2S,3R)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide.
What is the SMILES notation for 2,2-difluoro-N-[(2S,3R)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide?
The canonical SMILES for 2,2-difluoro-N-[(2S,3R)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide is CC(F)(F)C(=O)N[C@@H]1CC(=O)N[C@H]1c1ccccc1.
What is the InChIKey of 2,2-difluoro-N-[(2S,3R)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide?
The InChIKey is JQIAOQWLFWCWBU-KOLCDFICSA-N. The full InChI is InChI=1S/C13H14F2N2O2/c1-13(14,15)12(19)16-9-7-10(18)17-11(9)8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3,(H,16,19)(H,17,18)/t9-,11+/m1/s1.
What are the key properties of 2,2-difluoro-N-[(2S,3R)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide?
2,2-difluoro-N-[(2S,3R)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide has a molecular weight of 268.26 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[(2S,3R)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide is sourced from PubChem (CID 138684556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).