5-(2-ethoxyphenyl)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one

C19H20FNO2 — CID 69084577

IUPAC5-(2-ethoxyphenyl)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one
SMILESCCOc1ccccc1C1CCC(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C19H20FNO2/c1-2-23-18-6-4-3-5-16(18)17-11-12-19(22)21(17)13-14-7-9-15(20)10-8-14/h3-10,17H,2,11-13H2,1H3
InChIKeyCFHPKABDGSBHEI-UHFFFAOYSA-N
MW313.37 g/mol
LogP4.09
Rot. Bonds5

About 5-(2-ethoxyphenyl)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one

5-(2-ethoxyphenyl)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one (PubChem CID 69084577) has the molecular formula C19H20FNO2 and a molecular weight of 313.37 g/mol. Its IUPAC name is 5-(2-ethoxyphenyl)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-(2-ethoxyphenyl)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one
PubChem CID69084577
Molecular FormulaC19H20FNO2
Molecular Weight313.37 g/mol
Exact Mass313.15
IUPAC Name5-(2-ethoxyphenyl)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one
SMILESCCOc1ccccc1C1CCC(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C19H20FNO2/c1-2-23-18-6-4-3-5-16(18)17-11-12-19(22)21(17)13-14-7-9-15(20)10-8-14/h3-10,17H,2,11-13H2,1H3
InChIKeyCFHPKABDGSBHEI-UHFFFAOYSA-N
XLogP4.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxyphenyl)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one?
The IUPAC name of 5-(2-ethoxyphenyl)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one (CID 69084577) is 5-(2-ethoxyphenyl)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-(2-ethoxyphenyl)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 5-(2-ethoxyphenyl)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one is CCOc1ccccc1C1CCC(=O)N1Cc1ccc(F)cc1.
What is the InChIKey of 5-(2-ethoxyphenyl)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one?
The InChIKey is CFHPKABDGSBHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO2/c1-2-23-18-6-4-3-5-16(18)17-11-12-19(22)21(17)13-14-7-9-15(20)10-8-14/h3-10,17H,2,11-13H2,1H3.
What are the key properties of 5-(2-ethoxyphenyl)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one?
5-(2-ethoxyphenyl)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one has a molecular weight of 313.37 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxyphenyl)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 69084577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).