5-[2-[(4-fluorophenyl)methylamino]ethyl]-1-(oxolan-2-ylmethyl)pyrrolidin-2-one

C18H25FN2O2 — CID 45191639

IUPAC5-[2-[(4-fluorophenyl)methylamino]ethyl]-1-(oxolan-2-ylmethyl)pyrrolidin-2-one
SMILESO=C1CCC(CCNCc2ccc(F)cc2)N1CC1CCCO1
InChIInChI=1S/C18H25FN2O2/c19-15-5-3-14(4-6-15)12-20-10-9-16-7-8-18(22)21(16)13-17-2-1-11-23-17/h3-6,16-17,20H,1-2,7-13H2
InChIKeyKDQCVGYCWGLYQZ-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.48
Rot. Bonds7

About 5-[2-[(4-fluorophenyl)methylamino]ethyl]-1-(oxolan-2-ylmethyl)pyrrolidin-2-one

5-[2-[(4-fluorophenyl)methylamino]ethyl]-1-(oxolan-2-ylmethyl)pyrrolidin-2-one (PubChem CID 45191639) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is 5-[2-[(4-fluorophenyl)methylamino]ethyl]-1-(oxolan-2-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-[2-[(4-fluorophenyl)methylamino]ethyl]-1-(oxolan-2-ylmethyl)pyrrolidin-2-one
PubChem CID45191639
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC Name5-[2-[(4-fluorophenyl)methylamino]ethyl]-1-(oxolan-2-ylmethyl)pyrrolidin-2-one
SMILESO=C1CCC(CCNCc2ccc(F)cc2)N1CC1CCCO1
InChIInChI=1S/C18H25FN2O2/c19-15-5-3-14(4-6-15)12-20-10-9-16-7-8-18(22)21(16)13-17-2-1-11-23-17/h3-6,16-17,20H,1-2,7-13H2
InChIKeyKDQCVGYCWGLYQZ-UHFFFAOYSA-N
XLogP2.48
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.48
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 5-[2-[(4-fluorophenyl)methylamino]ethyl]-1-(oxolan-2-ylmethyl)pyrrolidin-2-one?
The IUPAC name of 5-[2-[(4-fluorophenyl)methylamino]ethyl]-1-(oxolan-2-ylmethyl)pyrrolidin-2-one (CID 45191639) is 5-[2-[(4-fluorophenyl)methylamino]ethyl]-1-(oxolan-2-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 5-[2-[(4-fluorophenyl)methylamino]ethyl]-1-(oxolan-2-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for 5-[2-[(4-fluorophenyl)methylamino]ethyl]-1-(oxolan-2-ylmethyl)pyrrolidin-2-one is O=C1CCC(CCNCc2ccc(F)cc2)N1CC1CCCO1.
What is the InChIKey of 5-[2-[(4-fluorophenyl)methylamino]ethyl]-1-(oxolan-2-ylmethyl)pyrrolidin-2-one?
The InChIKey is KDQCVGYCWGLYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O2/c19-15-5-3-14(4-6-15)12-20-10-9-16-7-8-18(22)21(16)13-17-2-1-11-23-17/h3-6,16-17,20H,1-2,7-13H2.
What are the key properties of 5-[2-[(4-fluorophenyl)methylamino]ethyl]-1-(oxolan-2-ylmethyl)pyrrolidin-2-one?
5-[2-[(4-fluorophenyl)methylamino]ethyl]-1-(oxolan-2-ylmethyl)pyrrolidin-2-one has a molecular weight of 320.41 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(4-fluorophenyl)methylamino]ethyl]-1-(oxolan-2-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 45191639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).