1-[(2,4-difluorophenyl)methyl]-3-(methylamino)pyrrolidin-2-one

C12H14F2N2O — CID 62228510

IUPAC1-[(2,4-difluorophenyl)methyl]-3-(methylamino)pyrrolidin-2-one
SMILESCNC1CCN(Cc2ccc(F)cc2F)C1=O
InChIInChI=1S/C12H14F2N2O/c1-15-11-4-5-16(12(11)17)7-8-2-3-9(13)6-10(8)14/h2-3,6,11,15H,4-5,7H2,1H3
InChIKeyRSHPVOXHMFZGED-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.29
Rot. Bonds3

About 1-[(2,4-difluorophenyl)methyl]-3-(methylamino)pyrrolidin-2-one

1-[(2,4-difluorophenyl)methyl]-3-(methylamino)pyrrolidin-2-one (PubChem CID 62228510) has the molecular formula C12H14F2N2O and a molecular weight of 240.25 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]-3-(methylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methyl]-3-(methylamino)pyrrolidin-2-one
PubChem CID62228510
Molecular FormulaC12H14F2N2O
Molecular Weight240.25 g/mol
Exact Mass240.11
IUPAC Name1-[(2,4-difluorophenyl)methyl]-3-(methylamino)pyrrolidin-2-one
SMILESCNC1CCN(Cc2ccc(F)cc2F)C1=O
InChIInChI=1S/C12H14F2N2O/c1-15-11-4-5-16(12(11)17)7-8-2-3-9(13)6-10(8)14/h2-3,6,11,15H,4-5,7H2,1H3
InChIKeyRSHPVOXHMFZGED-UHFFFAOYSA-N
XLogP1.29
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methyl]-3-(methylamino)pyrrolidin-2-one?
The IUPAC name of 1-[(2,4-difluorophenyl)methyl]-3-(methylamino)pyrrolidin-2-one (CID 62228510) is 1-[(2,4-difluorophenyl)methyl]-3-(methylamino)pyrrolidin-2-one.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl]-3-(methylamino)pyrrolidin-2-one?
The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]-3-(methylamino)pyrrolidin-2-one is CNC1CCN(Cc2ccc(F)cc2F)C1=O.
What is the InChIKey of 1-[(2,4-difluorophenyl)methyl]-3-(methylamino)pyrrolidin-2-one?
The InChIKey is RSHPVOXHMFZGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O/c1-15-11-4-5-16(12(11)17)7-8-2-3-9(13)6-10(8)14/h2-3,6,11,15H,4-5,7H2,1H3.
What are the key properties of 1-[(2,4-difluorophenyl)methyl]-3-(methylamino)pyrrolidin-2-one?
1-[(2,4-difluorophenyl)methyl]-3-(methylamino)pyrrolidin-2-one has a molecular weight of 240.25 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methyl]-3-(methylamino)pyrrolidin-2-one is sourced from PubChem (CID 62228510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).