1-[(2,6-difluoro-3-methylphenyl)methyl]-5-[2-(2-methoxyethylamino)ethyl]pyrrolidin-2-one

C17H24F2N2O2 — CID 56853368

IUPAC1-[(2,6-difluoro-3-methylphenyl)methyl]-5-[2-(2-methoxyethylamino)ethyl]pyrrolidin-2-one
SMILESCOCCNCCC1CCC(=O)N1Cc1c(F)ccc(C)c1F
InChIInChI=1S/C17H24F2N2O2/c1-12-3-5-15(18)14(17(12)19)11-21-13(4-6-16(21)22)7-8-20-9-10-23-2/h3,5,13,20H,4,6-11H2,1-2H3
InChIKeyWOLOYDUDTBBWRB-UHFFFAOYSA-N
MW326.39 g/mol
LogP2.39
Rot. Bonds8

About 1-[(2,6-difluoro-3-methylphenyl)methyl]-5-[2-(2-methoxyethylamino)ethyl]pyrrolidin-2-one

1-[(2,6-difluoro-3-methylphenyl)methyl]-5-[2-(2-methoxyethylamino)ethyl]pyrrolidin-2-one (PubChem CID 56853368) has the molecular formula C17H24F2N2O2 and a molecular weight of 326.39 g/mol. Its IUPAC name is 1-[(2,6-difluoro-3-methylphenyl)methyl]-5-[2-(2-methoxyethylamino)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2,6-difluoro-3-methylphenyl)methyl]-5-[2-(2-methoxyethylamino)ethyl]pyrrolidin-2-one
PubChem CID56853368
Molecular FormulaC17H24F2N2O2
Molecular Weight326.39 g/mol
Exact Mass326.18
IUPAC Name1-[(2,6-difluoro-3-methylphenyl)methyl]-5-[2-(2-methoxyethylamino)ethyl]pyrrolidin-2-one
SMILESCOCCNCCC1CCC(=O)N1Cc1c(F)ccc(C)c1F
InChIInChI=1S/C17H24F2N2O2/c1-12-3-5-15(18)14(17(12)19)11-21-13(4-6-16(21)22)7-8-20-9-10-23-2/h3,5,13,20H,4,6-11H2,1-2H3
InChIKeyWOLOYDUDTBBWRB-UHFFFAOYSA-N
XLogP2.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-difluoro-3-methylphenyl)methyl]-5-[2-(2-methoxyethylamino)ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[(2,6-difluoro-3-methylphenyl)methyl]-5-[2-(2-methoxyethylamino)ethyl]pyrrolidin-2-one (CID 56853368) is 1-[(2,6-difluoro-3-methylphenyl)methyl]-5-[2-(2-methoxyethylamino)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(2,6-difluoro-3-methylphenyl)methyl]-5-[2-(2-methoxyethylamino)ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(2,6-difluoro-3-methylphenyl)methyl]-5-[2-(2-methoxyethylamino)ethyl]pyrrolidin-2-one is COCCNCCC1CCC(=O)N1Cc1c(F)ccc(C)c1F.
What is the InChIKey of 1-[(2,6-difluoro-3-methylphenyl)methyl]-5-[2-(2-methoxyethylamino)ethyl]pyrrolidin-2-one?
The InChIKey is WOLOYDUDTBBWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2O2/c1-12-3-5-15(18)14(17(12)19)11-21-13(4-6-16(21)22)7-8-20-9-10-23-2/h3,5,13,20H,4,6-11H2,1-2H3.
What are the key properties of 1-[(2,6-difluoro-3-methylphenyl)methyl]-5-[2-(2-methoxyethylamino)ethyl]pyrrolidin-2-one?
1-[(2,6-difluoro-3-methylphenyl)methyl]-5-[2-(2-methoxyethylamino)ethyl]pyrrolidin-2-one has a molecular weight of 326.39 g/mol, XLogP of 2.39, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-difluoro-3-methylphenyl)methyl]-5-[2-(2-methoxyethylamino)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 56853368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).