1-(benzylamino)-4-[(3-fluorophenyl)methoxy]pyrrolidin-2-one

C18H19FN2O2 — CID 23073298

IUPAC1-(benzylamino)-4-[(3-fluorophenyl)methoxy]pyrrolidin-2-one
SMILESO=C1CC(OCc2cccc(F)c2)CN1NCc1ccccc1
InChIInChI=1S/C18H19FN2O2/c19-16-8-4-7-15(9-16)13-23-17-10-18(22)21(12-17)20-11-14-5-2-1-3-6-14/h1-9,17,20H,10-13H2
InChIKeyAZRLTZUACPILNJ-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.65
Rot. Bonds6

About 1-(benzylamino)-4-[(3-fluorophenyl)methoxy]pyrrolidin-2-one

1-(benzylamino)-4-[(3-fluorophenyl)methoxy]pyrrolidin-2-one (PubChem CID 23073298) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is 1-(benzylamino)-4-[(3-fluorophenyl)methoxy]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(benzylamino)-4-[(3-fluorophenyl)methoxy]pyrrolidin-2-one
PubChem CID23073298
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC Name1-(benzylamino)-4-[(3-fluorophenyl)methoxy]pyrrolidin-2-one
SMILESO=C1CC(OCc2cccc(F)c2)CN1NCc1ccccc1
InChIInChI=1S/C18H19FN2O2/c19-16-8-4-7-15(9-16)13-23-17-10-18(22)21(12-17)20-11-14-5-2-1-3-6-14/h1-9,17,20H,10-13H2
InChIKeyAZRLTZUACPILNJ-UHFFFAOYSA-N
XLogP2.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(benzylamino)-4-[(3-fluorophenyl)methoxy]pyrrolidin-2-one?
The IUPAC name of 1-(benzylamino)-4-[(3-fluorophenyl)methoxy]pyrrolidin-2-one (CID 23073298) is 1-(benzylamino)-4-[(3-fluorophenyl)methoxy]pyrrolidin-2-one.
What is the SMILES notation for 1-(benzylamino)-4-[(3-fluorophenyl)methoxy]pyrrolidin-2-one?
The canonical SMILES for 1-(benzylamino)-4-[(3-fluorophenyl)methoxy]pyrrolidin-2-one is O=C1CC(OCc2cccc(F)c2)CN1NCc1ccccc1.
What is the InChIKey of 1-(benzylamino)-4-[(3-fluorophenyl)methoxy]pyrrolidin-2-one?
The InChIKey is AZRLTZUACPILNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c19-16-8-4-7-15(9-16)13-23-17-10-18(22)21(12-17)20-11-14-5-2-1-3-6-14/h1-9,17,20H,10-13H2.
What are the key properties of 1-(benzylamino)-4-[(3-fluorophenyl)methoxy]pyrrolidin-2-one?
1-(benzylamino)-4-[(3-fluorophenyl)methoxy]pyrrolidin-2-one has a molecular weight of 314.36 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzylamino)-4-[(3-fluorophenyl)methoxy]pyrrolidin-2-one is sourced from PubChem (CID 23073298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).