1-(2-chloro-4,6-difluorophenyl)-3-(methylamino)pyrrolidin-2-one

C11H11ClF2N2O — CID 83087752

IUPAC1-(2-chloro-4,6-difluorophenyl)-3-(methylamino)pyrrolidin-2-one
SMILESCNC1CCN(c2c(F)cc(F)cc2Cl)C1=O
InChIInChI=1S/C11H11ClF2N2O/c1-15-9-2-3-16(11(9)17)10-7(12)4-6(13)5-8(10)14/h4-5,9,15H,2-3H2,1H3
InChIKeyZYLYSTQLHYJPEY-UHFFFAOYSA-N
MW260.67 g/mol
LogP1.94
Rot. Bonds2

About 1-(2-chloro-4,6-difluorophenyl)-3-(methylamino)pyrrolidin-2-one

1-(2-chloro-4,6-difluorophenyl)-3-(methylamino)pyrrolidin-2-one (PubChem CID 83087752) has the molecular formula C11H11ClF2N2O and a molecular weight of 260.67 g/mol. Its IUPAC name is 1-(2-chloro-4,6-difluorophenyl)-3-(methylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-chloro-4,6-difluorophenyl)-3-(methylamino)pyrrolidin-2-one
PubChem CID83087752
Molecular FormulaC11H11ClF2N2O
Molecular Weight260.67 g/mol
Exact Mass260.05
IUPAC Name1-(2-chloro-4,6-difluorophenyl)-3-(methylamino)pyrrolidin-2-one
SMILESCNC1CCN(c2c(F)cc(F)cc2Cl)C1=O
InChIInChI=1S/C11H11ClF2N2O/c1-15-9-2-3-16(11(9)17)10-7(12)4-6(13)5-8(10)14/h4-5,9,15H,2-3H2,1H3
InChIKeyZYLYSTQLHYJPEY-UHFFFAOYSA-N
XLogP1.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.67
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4,6-difluorophenyl)-3-(methylamino)pyrrolidin-2-one?
The IUPAC name of 1-(2-chloro-4,6-difluorophenyl)-3-(methylamino)pyrrolidin-2-one (CID 83087752) is 1-(2-chloro-4,6-difluorophenyl)-3-(methylamino)pyrrolidin-2-one.
What is the SMILES notation for 1-(2-chloro-4,6-difluorophenyl)-3-(methylamino)pyrrolidin-2-one?
The canonical SMILES for 1-(2-chloro-4,6-difluorophenyl)-3-(methylamino)pyrrolidin-2-one is CNC1CCN(c2c(F)cc(F)cc2Cl)C1=O.
What is the InChIKey of 1-(2-chloro-4,6-difluorophenyl)-3-(methylamino)pyrrolidin-2-one?
The InChIKey is ZYLYSTQLHYJPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF2N2O/c1-15-9-2-3-16(11(9)17)10-7(12)4-6(13)5-8(10)14/h4-5,9,15H,2-3H2,1H3.
What are the key properties of 1-(2-chloro-4,6-difluorophenyl)-3-(methylamino)pyrrolidin-2-one?
1-(2-chloro-4,6-difluorophenyl)-3-(methylamino)pyrrolidin-2-one has a molecular weight of 260.67 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4,6-difluorophenyl)-3-(methylamino)pyrrolidin-2-one is sourced from PubChem (CID 83087752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).