4-[2-(3-azido-2,4-difluorophenyl)-1-hydroxyethyl]pyrrolidin-2-one

C12H12F2N4O2 — CID 91393810

IUPAC4-[2-(3-azido-2,4-difluorophenyl)-1-hydroxyethyl]pyrrolidin-2-one
SMILES[N-]=[N+]=Nc1c(F)ccc(CC(O)C2CNC(=O)C2)c1F
InChIInChI=1S/C12H12F2N4O2/c13-8-2-1-6(11(14)12(8)17-18-15)3-9(19)7-4-10(20)16-5-7/h1-2,7,9,19H,3-5H2,(H,16,20)
InChIKeyCQEBNQDBZCDIOF-UHFFFAOYSA-N
MW282.25 g/mol
LogP1.95
Rot. Bonds4

About 4-[2-(3-azido-2,4-difluorophenyl)-1-hydroxyethyl]pyrrolidin-2-one

4-[2-(3-azido-2,4-difluorophenyl)-1-hydroxyethyl]pyrrolidin-2-one (PubChem CID 91393810) has the molecular formula C12H12F2N4O2 and a molecular weight of 282.25 g/mol. Its IUPAC name is 4-[2-(3-azido-2,4-difluorophenyl)-1-hydroxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[2-(3-azido-2,4-difluorophenyl)-1-hydroxyethyl]pyrrolidin-2-one
PubChem CID91393810
Molecular FormulaC12H12F2N4O2
Molecular Weight282.25 g/mol
Exact Mass282.09
IUPAC Name4-[2-(3-azido-2,4-difluorophenyl)-1-hydroxyethyl]pyrrolidin-2-one
SMILES[N-]=[N+]=Nc1c(F)ccc(CC(O)C2CNC(=O)C2)c1F
InChIInChI=1S/C12H12F2N4O2/c13-8-2-1-6(11(14)12(8)17-18-15)3-9(19)7-4-10(20)16-5-7/h1-2,7,9,19H,3-5H2,(H,16,20)
InChIKeyCQEBNQDBZCDIOF-UHFFFAOYSA-N
XLogP1.95
TPSA98.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 4-[2-(3-azido-2,4-difluorophenyl)-1-hydroxyethyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-azido-2,4-difluorophenyl)-1-hydroxyethyl]pyrrolidin-2-one?
The IUPAC name of 4-[2-(3-azido-2,4-difluorophenyl)-1-hydroxyethyl]pyrrolidin-2-one (CID 91393810) is 4-[2-(3-azido-2,4-difluorophenyl)-1-hydroxyethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[2-(3-azido-2,4-difluorophenyl)-1-hydroxyethyl]pyrrolidin-2-one?
The canonical SMILES for 4-[2-(3-azido-2,4-difluorophenyl)-1-hydroxyethyl]pyrrolidin-2-one is [N-]=[N+]=Nc1c(F)ccc(CC(O)C2CNC(=O)C2)c1F.
What is the InChIKey of 4-[2-(3-azido-2,4-difluorophenyl)-1-hydroxyethyl]pyrrolidin-2-one?
The InChIKey is CQEBNQDBZCDIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N4O2/c13-8-2-1-6(11(14)12(8)17-18-15)3-9(19)7-4-10(20)16-5-7/h1-2,7,9,19H,3-5H2,(H,16,20).
What are the key properties of 4-[2-(3-azido-2,4-difluorophenyl)-1-hydroxyethyl]pyrrolidin-2-one?
4-[2-(3-azido-2,4-difluorophenyl)-1-hydroxyethyl]pyrrolidin-2-one has a molecular weight of 282.25 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-azido-2,4-difluorophenyl)-1-hydroxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 91393810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).