1-[(1R,2R)-2-(cyclopropylmethoxy)-1-(4-fluorophenyl)-2-naphthalen-1-ylethyl]pyrrolidin-2-one

C26H26FNO2 — CID 12003385

IUPAC1-[(1R,2R)-2-(cyclopropylmethoxy)-1-(4-fluorophenyl)-2-naphthalen-1-ylethyl]pyrrolidin-2-one
SMILESO=C1CCCN1[C@H](c1ccc(F)cc1)[C@H](OCC1CC1)c1cccc2ccccc12
InChIInChI=1S/C26H26FNO2/c27-21-14-12-20(13-15-21)25(28-16-4-9-24(28)29)26(30-17-18-10-11-18)23-8-3-6-19-5-1-2-7-22(19)23/h1-3,5-8,12-15,18,25-26H,4,9-11,16-17H2/t25-,26-/m1/s1
InChIKeyOHOWEXFCQQDUCR-CLJLJLNGSA-N
MW403.50 g/mol
LogP5.81
Rot. Bonds7

About 1-[(1R,2R)-2-(cyclopropylmethoxy)-1-(4-fluorophenyl)-2-naphthalen-1-ylethyl]pyrrolidin-2-one

1-[(1R,2R)-2-(cyclopropylmethoxy)-1-(4-fluorophenyl)-2-naphthalen-1-ylethyl]pyrrolidin-2-one (PubChem CID 12003385) has the molecular formula C26H26FNO2 and a molecular weight of 403.50 g/mol. Its IUPAC name is 1-[(1R,2R)-2-(cyclopropylmethoxy)-1-(4-fluorophenyl)-2-naphthalen-1-ylethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(1R,2R)-2-(cyclopropylmethoxy)-1-(4-fluorophenyl)-2-naphthalen-1-ylethyl]pyrrolidin-2-one
PubChem CID12003385
Molecular FormulaC26H26FNO2
Molecular Weight403.50 g/mol
Exact Mass403.19
IUPAC Name1-[(1R,2R)-2-(cyclopropylmethoxy)-1-(4-fluorophenyl)-2-naphthalen-1-ylethyl]pyrrolidin-2-one
SMILESO=C1CCCN1[C@H](c1ccc(F)cc1)[C@H](OCC1CC1)c1cccc2ccccc12
InChIInChI=1S/C26H26FNO2/c27-21-14-12-20(13-15-21)25(28-16-4-9-24(28)29)26(30-17-18-10-11-18)23-8-3-6-19-5-1-2-7-22(19)23/h1-3,5-8,12-15,18,25-26H,4,9-11,16-17H2/t25-,26-/m1/s1
InChIKeyOHOWEXFCQQDUCR-CLJLJLNGSA-N
XLogP5.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.50
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

US11141410, Example 67
CID 129273416
(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-3-(4-naphthalen-1-ylbutanoyl)-1,3-oxazolidin-2-one
CID 137658692
(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-3-(3-naphthalen-1-ylpropyl)-1,3-oxazolidin-2-one
CID 137660313
1-[(1S,2R)-2-(cyclopropylmethoxy)-1-(4-fluorophenyl)-2-naphthalen-1-ylethyl]pyrrolidin-2-one
CID 12003478
1-[(1S,2R)-2-(4-fluorophenyl)-1-phenyl-2-propoxyethyl]pyrrolidin-2-one
CID 12003586
1-[(1R,2S)-2-(4-fluorophenyl)-1-phenyl-2-propoxyethyl]pyrrolidin-2-one
CID 12003587
1-[(1S,2R)-2-(cyclopropylmethoxy)-1,2-bis(4-fluorophenyl)ethyl]pyrrolidin-2-one
CID 12003588
1-[(1R,2S)-2-(cyclopropylmethoxy)-1,2-bis(4-fluorophenyl)ethyl]pyrrolidin-2-one
CID 12003680
(4RS,5SR)-5-(4-fluorophenyl)-3-(1-naphthalenylmethyl)-4-((4-(trifluoromethyl)phenyl)methyl)-1,3-oxazolidin-2-one
CID 22262093
(4S,5R)-3-[[2-(4-fluoro-2-methyl-5-propan-2-ylphenyl)-5-methylphenyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 58423061
(4S,5R)-3-[[2-(4-fluoro-3-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one
CID 58604021
(4S,5R)-3-[[2-(4-fluoro-3-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 59135160

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-(cyclopropylmethoxy)-1-(4-fluorophenyl)-2-naphthalen-1-ylethyl]pyrrolidin-2-one?
The IUPAC name of 1-[(1R,2R)-2-(cyclopropylmethoxy)-1-(4-fluorophenyl)-2-naphthalen-1-ylethyl]pyrrolidin-2-one (CID 12003385) is 1-[(1R,2R)-2-(cyclopropylmethoxy)-1-(4-fluorophenyl)-2-naphthalen-1-ylethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(1R,2R)-2-(cyclopropylmethoxy)-1-(4-fluorophenyl)-2-naphthalen-1-ylethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(1R,2R)-2-(cyclopropylmethoxy)-1-(4-fluorophenyl)-2-naphthalen-1-ylethyl]pyrrolidin-2-one is O=C1CCCN1[C@H](c1ccc(F)cc1)[C@H](OCC1CC1)c1cccc2ccccc12.
What is the InChIKey of 1-[(1R,2R)-2-(cyclopropylmethoxy)-1-(4-fluorophenyl)-2-naphthalen-1-ylethyl]pyrrolidin-2-one?
The InChIKey is OHOWEXFCQQDUCR-CLJLJLNGSA-N. The full InChI is InChI=1S/C26H26FNO2/c27-21-14-12-20(13-15-21)25(28-16-4-9-24(28)29)26(30-17-18-10-11-18)23-8-3-6-19-5-1-2-7-22(19)23/h1-3,5-8,12-15,18,25-26H,4,9-11,16-17H2/t25-,26-/m1/s1.
What are the key properties of 1-[(1R,2R)-2-(cyclopropylmethoxy)-1-(4-fluorophenyl)-2-naphthalen-1-ylethyl]pyrrolidin-2-one?
1-[(1R,2R)-2-(cyclopropylmethoxy)-1-(4-fluorophenyl)-2-naphthalen-1-ylethyl]pyrrolidin-2-one has a molecular weight of 403.50 g/mol, XLogP of 5.81, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-(cyclopropylmethoxy)-1-(4-fluorophenyl)-2-naphthalen-1-ylethyl]pyrrolidin-2-one is sourced from PubChem (CID 12003385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).