2-fluoro-5-[2-[(4R)-4-methyl-2-oxo-4-phenylpyrrolidin-1-yl]ethoxy]benzonitrile

C20H19FN2O2 — CID 122707118

IUPAC2-fluoro-5-[2-[(4R)-4-methyl-2-oxo-4-phenylpyrrolidin-1-yl]ethoxy]benzonitrile
SMILESC[C@]1(c2ccccc2)CC(=O)N(CCOc2ccc(F)c(C#N)c2)C1
InChIInChI=1S/C20H19FN2O2/c1-20(16-5-3-2-4-6-16)12-19(24)23(14-20)9-10-25-17-7-8-18(21)15(11-17)13-22/h2-8,11H,9-10,12,14H2,1H3/t20-/m0/s1
InChIKeyWMVNTKWNIVSPIC-FQEVSTJZSA-N
MW338.38 g/mol
LogP3.27
Rot. Bonds5

About 2-fluoro-5-[2-[(4R)-4-methyl-2-oxo-4-phenylpyrrolidin-1-yl]ethoxy]benzonitrile

2-fluoro-5-[2-[(4R)-4-methyl-2-oxo-4-phenylpyrrolidin-1-yl]ethoxy]benzonitrile (PubChem CID 122707118) has the molecular formula C20H19FN2O2 and a molecular weight of 338.38 g/mol. Its IUPAC name is 2-fluoro-5-[2-[(4R)-4-methyl-2-oxo-4-phenylpyrrolidin-1-yl]ethoxy]benzonitrile.

Molecular Properties

Compound Name2-fluoro-5-[2-[(4R)-4-methyl-2-oxo-4-phenylpyrrolidin-1-yl]ethoxy]benzonitrile
PubChem CID122707118
Molecular FormulaC20H19FN2O2
Molecular Weight338.38 g/mol
Exact Mass338.14
IUPAC Name2-fluoro-5-[2-[(4R)-4-methyl-2-oxo-4-phenylpyrrolidin-1-yl]ethoxy]benzonitrile
SMILESC[C@]1(c2ccccc2)CC(=O)N(CCOc2ccc(F)c(C#N)c2)C1
InChIInChI=1S/C20H19FN2O2/c1-20(16-5-3-2-4-6-16)12-19(24)23(14-20)9-10-25-17-7-8-18(21)15(11-17)13-22/h2-8,11H,9-10,12,14H2,1H3/t20-/m0/s1
InChIKeyWMVNTKWNIVSPIC-FQEVSTJZSA-N
XLogP3.27
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-fluoro-5-[2-[(4R)-4-methyl-2-oxo-4-phenylpyrrolidin-1-yl]ethoxy]benzonitrile 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 2-fluoro-5-[2-[(4R)-4-methyl-2-oxo-4-phenylpyrrolidin-1-yl]ethoxy]benzonitrile?
The IUPAC name of 2-fluoro-5-[2-[(4R)-4-methyl-2-oxo-4-phenylpyrrolidin-1-yl]ethoxy]benzonitrile (CID 122707118) is 2-fluoro-5-[2-[(4R)-4-methyl-2-oxo-4-phenylpyrrolidin-1-yl]ethoxy]benzonitrile.
What is the SMILES notation for 2-fluoro-5-[2-[(4R)-4-methyl-2-oxo-4-phenylpyrrolidin-1-yl]ethoxy]benzonitrile?
The canonical SMILES for 2-fluoro-5-[2-[(4R)-4-methyl-2-oxo-4-phenylpyrrolidin-1-yl]ethoxy]benzonitrile is C[C@]1(c2ccccc2)CC(=O)N(CCOc2ccc(F)c(C#N)c2)C1.
What is the InChIKey of 2-fluoro-5-[2-[(4R)-4-methyl-2-oxo-4-phenylpyrrolidin-1-yl]ethoxy]benzonitrile?
The InChIKey is WMVNTKWNIVSPIC-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H19FN2O2/c1-20(16-5-3-2-4-6-16)12-19(24)23(14-20)9-10-25-17-7-8-18(21)15(11-17)13-22/h2-8,11H,9-10,12,14H2,1H3/t20-/m0/s1.
What are the key properties of 2-fluoro-5-[2-[(4R)-4-methyl-2-oxo-4-phenylpyrrolidin-1-yl]ethoxy]benzonitrile?
2-fluoro-5-[2-[(4R)-4-methyl-2-oxo-4-phenylpyrrolidin-1-yl]ethoxy]benzonitrile has a molecular weight of 338.38 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[2-[(4R)-4-methyl-2-oxo-4-phenylpyrrolidin-1-yl]ethoxy]benzonitrile is sourced from PubChem (CID 122707118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).