4-amino-5-(3,5-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-2-one

C13H16F2N2O2 — CID 106534355

IUPAC4-amino-5-(3,5-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-2-one
SMILESCOCCN1C(=O)CC(N)C1c1cc(F)cc(F)c1
InChIInChI=1S/C13H16F2N2O2/c1-19-3-2-17-12(18)7-11(16)13(17)8-4-9(14)6-10(15)5-8/h4-6,11,13H,2-3,7,16H2,1H3
InChIKeyHOYXBDPMWHSFQZ-UHFFFAOYSA-N
MW270.28 g/mol
LogP1.21
Rot. Bonds4

About 4-amino-5-(3,5-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-2-one

4-amino-5-(3,5-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-2-one (PubChem CID 106534355) has the molecular formula C13H16F2N2O2 and a molecular weight of 270.28 g/mol. Its IUPAC name is 4-amino-5-(3,5-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-5-(3,5-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-2-one
PubChem CID106534355
Molecular FormulaC13H16F2N2O2
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Name4-amino-5-(3,5-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-2-one
SMILESCOCCN1C(=O)CC(N)C1c1cc(F)cc(F)c1
InChIInChI=1S/C13H16F2N2O2/c1-19-3-2-17-12(18)7-11(16)13(17)8-4-9(14)6-10(15)5-8/h4-6,11,13H,2-3,7,16H2,1H3
InChIKeyHOYXBDPMWHSFQZ-UHFFFAOYSA-N
XLogP1.21
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(3,5-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-2-one?
The IUPAC name of 4-amino-5-(3,5-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-2-one (CID 106534355) is 4-amino-5-(3,5-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-amino-5-(3,5-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-2-one?
The canonical SMILES for 4-amino-5-(3,5-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-2-one is COCCN1C(=O)CC(N)C1c1cc(F)cc(F)c1.
What is the InChIKey of 4-amino-5-(3,5-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-2-one?
The InChIKey is HOYXBDPMWHSFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O2/c1-19-3-2-17-12(18)7-11(16)13(17)8-4-9(14)6-10(15)5-8/h4-6,11,13H,2-3,7,16H2,1H3.
What are the key properties of 4-amino-5-(3,5-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-2-one?
4-amino-5-(3,5-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-2-one has a molecular weight of 270.28 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(3,5-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-2-one is sourced from PubChem (CID 106534355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).