3-[(4-fluorophenyl)methyl]-3-(2-hydroxyethyl)-1-[(2-methylphenyl)methyl]pyrrolidin-2-one

C21H24FNO2 — CID 57210874

IUPAC3-[(4-fluorophenyl)methyl]-3-(2-hydroxyethyl)-1-[(2-methylphenyl)methyl]pyrrolidin-2-one
SMILESCc1ccccc1CN1CCC(CCO)(Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C21H24FNO2/c1-16-4-2-3-5-18(16)15-23-12-10-21(11-13-24,20(23)25)14-17-6-8-19(22)9-7-17/h2-9,24H,10-15H2,1H3
InChIKeyRPCFQRWYRMWHSP-UHFFFAOYSA-N
MW341.43 g/mol
LogP3.48
Rot. Bonds6

About 3-[(4-fluorophenyl)methyl]-3-(2-hydroxyethyl)-1-[(2-methylphenyl)methyl]pyrrolidin-2-one

3-[(4-fluorophenyl)methyl]-3-(2-hydroxyethyl)-1-[(2-methylphenyl)methyl]pyrrolidin-2-one (PubChem CID 57210874) has the molecular formula C21H24FNO2 and a molecular weight of 341.43 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-3-(2-hydroxyethyl)-1-[(2-methylphenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-3-(2-hydroxyethyl)-1-[(2-methylphenyl)methyl]pyrrolidin-2-one
PubChem CID57210874
Molecular FormulaC21H24FNO2
Molecular Weight341.43 g/mol
Exact Mass341.18
IUPAC Name3-[(4-fluorophenyl)methyl]-3-(2-hydroxyethyl)-1-[(2-methylphenyl)methyl]pyrrolidin-2-one
SMILESCc1ccccc1CN1CCC(CCO)(Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C21H24FNO2/c1-16-4-2-3-5-18(16)15-23-12-10-21(11-13-24,20(23)25)14-17-6-8-19(22)9-7-17/h2-9,24H,10-15H2,1H3
InChIKeyRPCFQRWYRMWHSP-UHFFFAOYSA-N
XLogP3.48
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-3-(2-hydroxyethyl)-1-[(2-methylphenyl)methyl]pyrrolidin-2-one?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-3-(2-hydroxyethyl)-1-[(2-methylphenyl)methyl]pyrrolidin-2-one (CID 57210874) is 3-[(4-fluorophenyl)methyl]-3-(2-hydroxyethyl)-1-[(2-methylphenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-3-(2-hydroxyethyl)-1-[(2-methylphenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-3-(2-hydroxyethyl)-1-[(2-methylphenyl)methyl]pyrrolidin-2-one is Cc1ccccc1CN1CCC(CCO)(Cc2ccc(F)cc2)C1=O.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-3-(2-hydroxyethyl)-1-[(2-methylphenyl)methyl]pyrrolidin-2-one?
The InChIKey is RPCFQRWYRMWHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO2/c1-16-4-2-3-5-18(16)15-23-12-10-21(11-13-24,20(23)25)14-17-6-8-19(22)9-7-17/h2-9,24H,10-15H2,1H3.
What are the key properties of 3-[(4-fluorophenyl)methyl]-3-(2-hydroxyethyl)-1-[(2-methylphenyl)methyl]pyrrolidin-2-one?
3-[(4-fluorophenyl)methyl]-3-(2-hydroxyethyl)-1-[(2-methylphenyl)methyl]pyrrolidin-2-one has a molecular weight of 341.43 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-3-(2-hydroxyethyl)-1-[(2-methylphenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 57210874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).