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

C22H20FNO — CID 143373011

IUPAC1-[1-(4-fluorophenyl)-2-naphthalen-1-ylethyl]pyrrolidin-2-one
SMILESO=C1CCCN1C(Cc1cccc2ccccc12)c1ccc(F)cc1
InChIInChI=1S/C22H20FNO/c23-19-12-10-17(11-13-19)21(24-14-4-9-22(24)25)15-18-7-3-6-16-5-1-2-8-20(16)18/h1-3,5-8,10-13,21H,4,9,14-15H2
InChIKeyJFERKYYNELHYHO-UHFFFAOYSA-N
MW333.41 g/mol
LogP4.89
Rot. Bonds4

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

1-[1-(4-fluorophenyl)-2-naphthalen-1-ylethyl]pyrrolidin-2-one (PubChem CID 143373011) has the molecular formula C22H20FNO and a molecular weight of 333.41 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)-2-naphthalen-1-ylethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)-2-naphthalen-1-ylethyl]pyrrolidin-2-one
PubChem CID143373011
Molecular FormulaC22H20FNO
Molecular Weight333.41 g/mol
Exact Mass333.15
IUPAC Name1-[1-(4-fluorophenyl)-2-naphthalen-1-ylethyl]pyrrolidin-2-one
SMILESO=C1CCCN1C(Cc1cccc2ccccc12)c1ccc(F)cc1
InChIInChI=1S/C22H20FNO/c23-19-12-10-17(11-13-19)21(24-14-4-9-22(24)25)15-18-7-3-6-16-5-1-2-8-20(16)18/h1-3,5-8,10-13,21H,4,9,14-15H2
InChIKeyJFERKYYNELHYHO-UHFFFAOYSA-N
XLogP4.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)-2-naphthalen-1-ylethyl]pyrrolidin-2-one?
The IUPAC name of 1-[1-(4-fluorophenyl)-2-naphthalen-1-ylethyl]pyrrolidin-2-one (CID 143373011) is 1-[1-(4-fluorophenyl)-2-naphthalen-1-ylethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-(4-fluorophenyl)-2-naphthalen-1-ylethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-(4-fluorophenyl)-2-naphthalen-1-ylethyl]pyrrolidin-2-one is O=C1CCCN1C(Cc1cccc2ccccc12)c1ccc(F)cc1.
What is the InChIKey of 1-[1-(4-fluorophenyl)-2-naphthalen-1-ylethyl]pyrrolidin-2-one?
The InChIKey is JFERKYYNELHYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FNO/c23-19-12-10-17(11-13-19)21(24-14-4-9-22(24)25)15-18-7-3-6-16-5-1-2-8-20(16)18/h1-3,5-8,10-13,21H,4,9,14-15H2.
What are the key properties of 1-[1-(4-fluorophenyl)-2-naphthalen-1-ylethyl]pyrrolidin-2-one?
1-[1-(4-fluorophenyl)-2-naphthalen-1-ylethyl]pyrrolidin-2-one has a molecular weight of 333.41 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)-2-naphthalen-1-ylethyl]pyrrolidin-2-one is sourced from PubChem (CID 143373011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).