1-[(1S,2R)-2-(4-fluorophenyl)-1-phenyl-2-propoxyethyl]pyrrolidin-2-one

C21H24FNO2 — CID 12003586

IUPAC1-[(1S,2R)-2-(4-fluorophenyl)-1-phenyl-2-propoxyethyl]pyrrolidin-2-one
SMILESCCCO[C@H](c1ccc(F)cc1)[C@H](c1ccccc1)N1CCCC1=O
InChIInChI=1S/C21H24FNO2/c1-2-15-25-21(17-10-12-18(22)13-11-17)20(16-7-4-3-5-8-16)23-14-6-9-19(23)24/h3-5,7-8,10-13,20-21H,2,6,9,14-15H2,1H3/t20-,21+/m0/s1
InChIKeyDFIIEHDCTRSWEG-LEWJYISDSA-N
MW341.43 g/mol
LogP4.66
Rot. Bonds7

About 1-[(1S,2R)-2-(4-fluorophenyl)-1-phenyl-2-propoxyethyl]pyrrolidin-2-one

1-[(1S,2R)-2-(4-fluorophenyl)-1-phenyl-2-propoxyethyl]pyrrolidin-2-one (PubChem CID 12003586) has the molecular formula C21H24FNO2 and a molecular weight of 341.43 g/mol. Its IUPAC name is 1-[(1S,2R)-2-(4-fluorophenyl)-1-phenyl-2-propoxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(1S,2R)-2-(4-fluorophenyl)-1-phenyl-2-propoxyethyl]pyrrolidin-2-one
PubChem CID12003586
Molecular FormulaC21H24FNO2
Molecular Weight341.43 g/mol
Exact Mass341.18
IUPAC Name1-[(1S,2R)-2-(4-fluorophenyl)-1-phenyl-2-propoxyethyl]pyrrolidin-2-one
SMILESCCCO[C@H](c1ccc(F)cc1)[C@H](c1ccccc1)N1CCCC1=O
InChIInChI=1S/C21H24FNO2/c1-2-15-25-21(17-10-12-18(22)13-11-17)20(16-7-4-3-5-8-16)23-14-6-9-19(23)24/h3-5,7-8,10-13,20-21H,2,6,9,14-15H2,1H3/t20-,21+/m0/s1
InChIKeyDFIIEHDCTRSWEG-LEWJYISDSA-N
XLogP4.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R)-2-(4-fluorophenyl)-1-phenyl-2-propoxyethyl]pyrrolidin-2-one?
The IUPAC name of 1-[(1S,2R)-2-(4-fluorophenyl)-1-phenyl-2-propoxyethyl]pyrrolidin-2-one (CID 12003586) is 1-[(1S,2R)-2-(4-fluorophenyl)-1-phenyl-2-propoxyethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(1S,2R)-2-(4-fluorophenyl)-1-phenyl-2-propoxyethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(1S,2R)-2-(4-fluorophenyl)-1-phenyl-2-propoxyethyl]pyrrolidin-2-one is CCCO[C@H](c1ccc(F)cc1)[C@H](c1ccccc1)N1CCCC1=O.
What is the InChIKey of 1-[(1S,2R)-2-(4-fluorophenyl)-1-phenyl-2-propoxyethyl]pyrrolidin-2-one?
The InChIKey is DFIIEHDCTRSWEG-LEWJYISDSA-N. The full InChI is InChI=1S/C21H24FNO2/c1-2-15-25-21(17-10-12-18(22)13-11-17)20(16-7-4-3-5-8-16)23-14-6-9-19(23)24/h3-5,7-8,10-13,20-21H,2,6,9,14-15H2,1H3/t20-,21+/m0/s1.
What are the key properties of 1-[(1S,2R)-2-(4-fluorophenyl)-1-phenyl-2-propoxyethyl]pyrrolidin-2-one?
1-[(1S,2R)-2-(4-fluorophenyl)-1-phenyl-2-propoxyethyl]pyrrolidin-2-one has a molecular weight of 341.43 g/mol, XLogP of 4.66, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2R)-2-(4-fluorophenyl)-1-phenyl-2-propoxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 12003586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).