5-[[4-(3-fluorophenyl)phenyl]methyl]-3-(hydroxymethyl)-1-methylpyrrolidin-2-one

C19H20FNO2 — CID 123401988

IUPAC5-[[4-(3-fluorophenyl)phenyl]methyl]-3-(hydroxymethyl)-1-methylpyrrolidin-2-one
SMILESCN1C(=O)C(CO)CC1Cc1ccc(-c2cccc(F)c2)cc1
InChIInChI=1S/C19H20FNO2/c1-21-18(11-16(12-22)19(21)23)9-13-5-7-14(8-6-13)15-3-2-4-17(20)10-15/h2-8,10,16,18,22H,9,11-12H2,1H3
InChIKeyGXSLSGDFBAYNCG-UHFFFAOYSA-N
MW313.37 g/mol
LogP2.87
Rot. Bonds4

About 5-[[4-(3-fluorophenyl)phenyl]methyl]-3-(hydroxymethyl)-1-methylpyrrolidin-2-one

5-[[4-(3-fluorophenyl)phenyl]methyl]-3-(hydroxymethyl)-1-methylpyrrolidin-2-one (PubChem CID 123401988) has the molecular formula C19H20FNO2 and a molecular weight of 313.37 g/mol. Its IUPAC name is 5-[[4-(3-fluorophenyl)phenyl]methyl]-3-(hydroxymethyl)-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name5-[[4-(3-fluorophenyl)phenyl]methyl]-3-(hydroxymethyl)-1-methylpyrrolidin-2-one
PubChem CID123401988
Molecular FormulaC19H20FNO2
Molecular Weight313.37 g/mol
Exact Mass313.15
IUPAC Name5-[[4-(3-fluorophenyl)phenyl]methyl]-3-(hydroxymethyl)-1-methylpyrrolidin-2-one
SMILESCN1C(=O)C(CO)CC1Cc1ccc(-c2cccc(F)c2)cc1
InChIInChI=1S/C19H20FNO2/c1-21-18(11-16(12-22)19(21)23)9-13-5-7-14(8-6-13)15-3-2-4-17(20)10-15/h2-8,10,16,18,22H,9,11-12H2,1H3
InChIKeyGXSLSGDFBAYNCG-UHFFFAOYSA-N
XLogP2.87
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-3-[4-(4-fluorophenyl)phenyl]-1-[(3S)-3-fluoropyrrolidin-1-yl]-4-hydroxy-1-oxobutan-2-aminium; 2,2,2-trifluoroacetate
CID 91895751
(4R,5R)-5-((S)-1-Hydroxy-3-p-tolyl-prop-2-ynyl)-1-methyl-4-phenyl-pyrrolidin-2-one
CID 44397756
(4R,5R)-5-[(S)-3-(4-Fluoro-phenyl)-1-hydroxy-prop-2-ynyl]-1-methyl-4-phenyl-pyrrolidin-2-one
CID 44397919
(4R,5R)-5-[(S)-3-(2-Fluoro-phenyl)-1-hydroxy-prop-2-ynyl]-1-methyl-4-phenyl-pyrrolidin-2-one
CID 44397973
(4R,5R)-5-[(E)-(S)-3-(4-Fluoro-phenyl)-1-hydroxy-allyl]-1-methyl-4-phenyl-pyrrolidin-2-one
CID 44397798
(4R,5R)-5-((S)-1-Hydroxy-3-phenyl-propyl)-1-methyl-4-phenyl-pyrrolidin-2-one
CID 44397916
(4R,5R)-5-[(S)-3-(4-Fluoro-phenyl)-1-hydroxy-propyl]-1-methyl-4-phenyl-pyrrolidin-2-one
CID 44397917
(R)-4-benzyl-3-((S)-4-(2,4-difluorophenyl)-2-(hydroxymethyl)pent-4-enoyl)oxazolidin-2-one
CID 10960394
(3S,4R)-3-fluoro-3-[(1S)-1-hydroxyethyl]-4-phenylpyrrolidin-2-one
CID 134964162
(5s,8s)-1-(3-Hydroxypropyl)-8-phenyl-1-azaspiro[4.5]decan-2-one
CID 60158953
4-Benzyl-5-hydroxy-1-methyl-4-phenylpyrrolidin-2-one
CID 12394601
5-Hydroxy-1-methyl-4,4-diphenylpyrrolidin-2-one
CID 12394604

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(3-fluorophenyl)phenyl]methyl]-3-(hydroxymethyl)-1-methylpyrrolidin-2-one?
The IUPAC name of 5-[[4-(3-fluorophenyl)phenyl]methyl]-3-(hydroxymethyl)-1-methylpyrrolidin-2-one (CID 123401988) is 5-[[4-(3-fluorophenyl)phenyl]methyl]-3-(hydroxymethyl)-1-methylpyrrolidin-2-one.
What is the SMILES notation for 5-[[4-(3-fluorophenyl)phenyl]methyl]-3-(hydroxymethyl)-1-methylpyrrolidin-2-one?
The canonical SMILES for 5-[[4-(3-fluorophenyl)phenyl]methyl]-3-(hydroxymethyl)-1-methylpyrrolidin-2-one is CN1C(=O)C(CO)CC1Cc1ccc(-c2cccc(F)c2)cc1.
What is the InChIKey of 5-[[4-(3-fluorophenyl)phenyl]methyl]-3-(hydroxymethyl)-1-methylpyrrolidin-2-one?
The InChIKey is GXSLSGDFBAYNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO2/c1-21-18(11-16(12-22)19(21)23)9-13-5-7-14(8-6-13)15-3-2-4-17(20)10-15/h2-8,10,16,18,22H,9,11-12H2,1H3.
What are the key properties of 5-[[4-(3-fluorophenyl)phenyl]methyl]-3-(hydroxymethyl)-1-methylpyrrolidin-2-one?
5-[[4-(3-fluorophenyl)phenyl]methyl]-3-(hydroxymethyl)-1-methylpyrrolidin-2-one has a molecular weight of 313.37 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(3-fluorophenyl)phenyl]methyl]-3-(hydroxymethyl)-1-methylpyrrolidin-2-one is sourced from PubChem (CID 123401988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).