4-(3,4-difluorophenyl)-1-(pyridin-4-ylmethyl)pyrrolidin-2-one

C16H14F2N2O — CID 153309025

IUPAC4-(3,4-difluorophenyl)-1-(pyridin-4-ylmethyl)pyrrolidin-2-one
SMILESO=C1CC(c2ccc(F)c(F)c2)CN1Cc1ccncc1
InChIInChI=1S/C16H14F2N2O/c17-14-2-1-12(7-15(14)18)13-8-16(21)20(10-13)9-11-3-5-19-6-4-11/h1-7,13H,8-10H2
InChIKeyBPRHHTOIWVIPEF-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.88
Rot. Bonds3

About 4-(3,4-difluorophenyl)-1-(pyridin-4-ylmethyl)pyrrolidin-2-one

4-(3,4-difluorophenyl)-1-(pyridin-4-ylmethyl)pyrrolidin-2-one (PubChem CID 153309025) has the molecular formula C16H14F2N2O and a molecular weight of 288.30 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-1-(pyridin-4-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)-1-(pyridin-4-ylmethyl)pyrrolidin-2-one
PubChem CID153309025
Molecular FormulaC16H14F2N2O
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name4-(3,4-difluorophenyl)-1-(pyridin-4-ylmethyl)pyrrolidin-2-one
SMILESO=C1CC(c2ccc(F)c(F)c2)CN1Cc1ccncc1
InChIInChI=1S/C16H14F2N2O/c17-14-2-1-12(7-15(14)18)13-8-16(21)20(10-13)9-11-3-5-19-6-4-11/h1-7,13H,8-10H2
InChIKeyBPRHHTOIWVIPEF-UHFFFAOYSA-N
XLogP2.88
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(3,4-difluorophenyl)-1-(pyridin-4-ylmethyl)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-(3,4-difluorophenyl)-1-(pyridin-4-ylmethyl)pyrrolidin-2-one?
The IUPAC name of 4-(3,4-difluorophenyl)-1-(pyridin-4-ylmethyl)pyrrolidin-2-one (CID 153309025) is 4-(3,4-difluorophenyl)-1-(pyridin-4-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(3,4-difluorophenyl)-1-(pyridin-4-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for 4-(3,4-difluorophenyl)-1-(pyridin-4-ylmethyl)pyrrolidin-2-one is O=C1CC(c2ccc(F)c(F)c2)CN1Cc1ccncc1.
What is the InChIKey of 4-(3,4-difluorophenyl)-1-(pyridin-4-ylmethyl)pyrrolidin-2-one?
The InChIKey is BPRHHTOIWVIPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O/c17-14-2-1-12(7-15(14)18)13-8-16(21)20(10-13)9-11-3-5-19-6-4-11/h1-7,13H,8-10H2.
What are the key properties of 4-(3,4-difluorophenyl)-1-(pyridin-4-ylmethyl)pyrrolidin-2-one?
4-(3,4-difluorophenyl)-1-(pyridin-4-ylmethyl)pyrrolidin-2-one has a molecular weight of 288.30 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)-1-(pyridin-4-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 153309025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).