1-[4-[(4-fluorophenyl)methoxy]phenyl]pyrrolidin-2-one

C17H16FNO2 — CID 8005118

IUPAC1-[4-[(4-fluorophenyl)methoxy]phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(OCc2ccc(F)cc2)cc1
InChIInChI=1S/C17H16FNO2/c18-14-5-3-13(4-6-14)12-21-16-9-7-15(8-10-16)19-11-1-2-17(19)20/h3-10H,1-2,11-12H2
InChIKeyCANVYTSYHVIQLP-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.53
Rot. Bonds4

About 1-[4-[(4-fluorophenyl)methoxy]phenyl]pyrrolidin-2-one

1-[4-[(4-fluorophenyl)methoxy]phenyl]pyrrolidin-2-one (PubChem CID 8005118) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is 1-[4-[(4-fluorophenyl)methoxy]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[(4-fluorophenyl)methoxy]phenyl]pyrrolidin-2-one
PubChem CID8005118
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC Name1-[4-[(4-fluorophenyl)methoxy]phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(OCc2ccc(F)cc2)cc1
InChIInChI=1S/C17H16FNO2/c18-14-5-3-13(4-6-14)12-21-16-9-7-15(8-10-16)19-11-1-2-17(19)20/h3-10H,1-2,11-12H2
InChIKeyCANVYTSYHVIQLP-UHFFFAOYSA-N
XLogP3.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[4-[(4-fluorophenyl)methoxy]phenyl]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 1-[4-[(4-fluorophenyl)methoxy]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[(4-fluorophenyl)methoxy]phenyl]pyrrolidin-2-one (CID 8005118) is 1-[4-[(4-fluorophenyl)methoxy]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[(4-fluorophenyl)methoxy]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[(4-fluorophenyl)methoxy]phenyl]pyrrolidin-2-one is O=C1CCCN1c1ccc(OCc2ccc(F)cc2)cc1.
What is the InChIKey of 1-[4-[(4-fluorophenyl)methoxy]phenyl]pyrrolidin-2-one?
The InChIKey is CANVYTSYHVIQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO2/c18-14-5-3-13(4-6-14)12-21-16-9-7-15(8-10-16)19-11-1-2-17(19)20/h3-10H,1-2,11-12H2.
What are the key properties of 1-[4-[(4-fluorophenyl)methoxy]phenyl]pyrrolidin-2-one?
1-[4-[(4-fluorophenyl)methoxy]phenyl]pyrrolidin-2-one has a molecular weight of 285.32 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-fluorophenyl)methoxy]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 8005118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).