1-(4-chloro-3-fluorophenyl)-3-(oxan-4-ylamino)pyrrolidin-2-one

C15H18ClFN2O2 — CID 75441668

IUPAC1-(4-chloro-3-fluorophenyl)-3-(oxan-4-ylamino)pyrrolidin-2-one
SMILESO=C1C(NC2CCOCC2)CCN1c1ccc(Cl)c(F)c1
InChIInChI=1S/C15H18ClFN2O2/c16-12-2-1-11(9-13(12)17)19-6-3-14(15(19)20)18-10-4-7-21-8-5-10/h1-2,9-10,14,18H,3-8H2
InChIKeyPDWNJGVTDKAGOR-UHFFFAOYSA-N
MW312.77 g/mol
LogP2.35
Rot. Bonds3

About 1-(4-chloro-3-fluorophenyl)-3-(oxan-4-ylamino)pyrrolidin-2-one

1-(4-chloro-3-fluorophenyl)-3-(oxan-4-ylamino)pyrrolidin-2-one (PubChem CID 75441668) has the molecular formula C15H18ClFN2O2 and a molecular weight of 312.77 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-3-(oxan-4-ylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-3-(oxan-4-ylamino)pyrrolidin-2-one
PubChem CID75441668
Molecular FormulaC15H18ClFN2O2
Molecular Weight312.77 g/mol
Exact Mass312.10
IUPAC Name1-(4-chloro-3-fluorophenyl)-3-(oxan-4-ylamino)pyrrolidin-2-one
SMILESO=C1C(NC2CCOCC2)CCN1c1ccc(Cl)c(F)c1
InChIInChI=1S/C15H18ClFN2O2/c16-12-2-1-11(9-13(12)17)19-6-3-14(15(19)20)18-10-4-7-21-8-5-10/h1-2,9-10,14,18H,3-8H2
InChIKeyPDWNJGVTDKAGOR-UHFFFAOYSA-N
XLogP2.35
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.77
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-chloro-3-fluorophenyl)-3-(oxan-4-ylamino)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-chloro-3-fluorophenyl)-3-(oxan-4-ylamino)pyrrolidin-2-one?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-3-(oxan-4-ylamino)pyrrolidin-2-one (CID 75441668) is 1-(4-chloro-3-fluorophenyl)-3-(oxan-4-ylamino)pyrrolidin-2-one.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-3-(oxan-4-ylamino)pyrrolidin-2-one?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-3-(oxan-4-ylamino)pyrrolidin-2-one is O=C1C(NC2CCOCC2)CCN1c1ccc(Cl)c(F)c1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-3-(oxan-4-ylamino)pyrrolidin-2-one?
The InChIKey is PDWNJGVTDKAGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN2O2/c16-12-2-1-11(9-13(12)17)19-6-3-14(15(19)20)18-10-4-7-21-8-5-10/h1-2,9-10,14,18H,3-8H2.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-3-(oxan-4-ylamino)pyrrolidin-2-one?
1-(4-chloro-3-fluorophenyl)-3-(oxan-4-ylamino)pyrrolidin-2-one has a molecular weight of 312.77 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-3-(oxan-4-ylamino)pyrrolidin-2-one is sourced from PubChem (CID 75441668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).