1-[(1S)-2-(3,4-difluorophenyl)-1-(4-fluorophenyl)-2-methoxyethyl]pyrrolidin-2-one

C19H18F3NO2 — CID 143373091

IUPAC1-[(1S)-2-(3,4-difluorophenyl)-1-(4-fluorophenyl)-2-methoxyethyl]pyrrolidin-2-one
SMILESCOC(c1ccc(F)c(F)c1)[C@H](c1ccc(F)cc1)N1CCCC1=O
InChIInChI=1S/C19H18F3NO2/c1-25-19(13-6-9-15(21)16(22)11-13)18(23-10-2-3-17(23)24)12-4-7-14(20)8-5-12/h4-9,11,18-19H,2-3,10H2,1H3/t18-,19?/m0/s1
InChIKeyJLGJECXWCDGQTO-OYKVQYDMSA-N
MW349.35 g/mol
LogP4.16
Rot. Bonds5

About 1-[(1S)-2-(3,4-difluorophenyl)-1-(4-fluorophenyl)-2-methoxyethyl]pyrrolidin-2-one

1-[(1S)-2-(3,4-difluorophenyl)-1-(4-fluorophenyl)-2-methoxyethyl]pyrrolidin-2-one (PubChem CID 143373091) has the molecular formula C19H18F3NO2 and a molecular weight of 349.35 g/mol. Its IUPAC name is 1-[(1S)-2-(3,4-difluorophenyl)-1-(4-fluorophenyl)-2-methoxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(1S)-2-(3,4-difluorophenyl)-1-(4-fluorophenyl)-2-methoxyethyl]pyrrolidin-2-one
PubChem CID143373091
Molecular FormulaC19H18F3NO2
Molecular Weight349.35 g/mol
Exact Mass349.13
IUPAC Name1-[(1S)-2-(3,4-difluorophenyl)-1-(4-fluorophenyl)-2-methoxyethyl]pyrrolidin-2-one
SMILESCOC(c1ccc(F)c(F)c1)[C@H](c1ccc(F)cc1)N1CCCC1=O
InChIInChI=1S/C19H18F3NO2/c1-25-19(13-6-9-15(21)16(22)11-13)18(23-10-2-3-17(23)24)12-4-7-14(20)8-5-12/h4-9,11,18-19H,2-3,10H2,1H3/t18-,19?/m0/s1
InChIKeyJLGJECXWCDGQTO-OYKVQYDMSA-N
XLogP4.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2-(3,4-difluorophenyl)-1-(4-fluorophenyl)-2-methoxyethyl]pyrrolidin-2-one?
The IUPAC name of 1-[(1S)-2-(3,4-difluorophenyl)-1-(4-fluorophenyl)-2-methoxyethyl]pyrrolidin-2-one (CID 143373091) is 1-[(1S)-2-(3,4-difluorophenyl)-1-(4-fluorophenyl)-2-methoxyethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(1S)-2-(3,4-difluorophenyl)-1-(4-fluorophenyl)-2-methoxyethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(1S)-2-(3,4-difluorophenyl)-1-(4-fluorophenyl)-2-methoxyethyl]pyrrolidin-2-one is COC(c1ccc(F)c(F)c1)[C@H](c1ccc(F)cc1)N1CCCC1=O.
What is the InChIKey of 1-[(1S)-2-(3,4-difluorophenyl)-1-(4-fluorophenyl)-2-methoxyethyl]pyrrolidin-2-one?
The InChIKey is JLGJECXWCDGQTO-OYKVQYDMSA-N. The full InChI is InChI=1S/C19H18F3NO2/c1-25-19(13-6-9-15(21)16(22)11-13)18(23-10-2-3-17(23)24)12-4-7-14(20)8-5-12/h4-9,11,18-19H,2-3,10H2,1H3/t18-,19?/m0/s1.
What are the key properties of 1-[(1S)-2-(3,4-difluorophenyl)-1-(4-fluorophenyl)-2-methoxyethyl]pyrrolidin-2-one?
1-[(1S)-2-(3,4-difluorophenyl)-1-(4-fluorophenyl)-2-methoxyethyl]pyrrolidin-2-one has a molecular weight of 349.35 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2-(3,4-difluorophenyl)-1-(4-fluorophenyl)-2-methoxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 143373091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).