5-(2-ethoxy-6-fluorophenyl)-1-[(3-ethoxyphenyl)methyl]-3-methylpyrrolidin-2-one

C22H26FNO3 — CID 69084515

IUPAC5-(2-ethoxy-6-fluorophenyl)-1-[(3-ethoxyphenyl)methyl]-3-methylpyrrolidin-2-one
SMILESCCOc1cccc(CN2C(=O)C(C)CC2c2c(F)cccc2OCC)c1
InChIInChI=1S/C22H26FNO3/c1-4-26-17-9-6-8-16(13-17)14-24-19(12-15(3)22(24)25)21-18(23)10-7-11-20(21)27-5-2/h6-11,13,15,19H,4-5,12,14H2,1-3H3
InChIKeyLWBJANYLUOJSLI-UHFFFAOYSA-N
MW371.45 g/mol
LogP4.73
Rot. Bonds7

About 5-(2-ethoxy-6-fluorophenyl)-1-[(3-ethoxyphenyl)methyl]-3-methylpyrrolidin-2-one

5-(2-ethoxy-6-fluorophenyl)-1-[(3-ethoxyphenyl)methyl]-3-methylpyrrolidin-2-one (PubChem CID 69084515) has the molecular formula C22H26FNO3 and a molecular weight of 371.45 g/mol. Its IUPAC name is 5-(2-ethoxy-6-fluorophenyl)-1-[(3-ethoxyphenyl)methyl]-3-methylpyrrolidin-2-one.

Molecular Properties

Compound Name5-(2-ethoxy-6-fluorophenyl)-1-[(3-ethoxyphenyl)methyl]-3-methylpyrrolidin-2-one
PubChem CID69084515
Molecular FormulaC22H26FNO3
Molecular Weight371.45 g/mol
Exact Mass371.19
IUPAC Name5-(2-ethoxy-6-fluorophenyl)-1-[(3-ethoxyphenyl)methyl]-3-methylpyrrolidin-2-one
SMILESCCOc1cccc(CN2C(=O)C(C)CC2c2c(F)cccc2OCC)c1
InChIInChI=1S/C22H26FNO3/c1-4-26-17-9-6-8-16(13-17)14-24-19(12-15(3)22(24)25)21-18(23)10-7-11-20(21)27-5-2/h6-11,13,15,19H,4-5,12,14H2,1-3H3
InChIKeyLWBJANYLUOJSLI-UHFFFAOYSA-N
XLogP4.73
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.45
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxy-6-fluorophenyl)-1-[(3-ethoxyphenyl)methyl]-3-methylpyrrolidin-2-one?
The IUPAC name of 5-(2-ethoxy-6-fluorophenyl)-1-[(3-ethoxyphenyl)methyl]-3-methylpyrrolidin-2-one (CID 69084515) is 5-(2-ethoxy-6-fluorophenyl)-1-[(3-ethoxyphenyl)methyl]-3-methylpyrrolidin-2-one.
What is the SMILES notation for 5-(2-ethoxy-6-fluorophenyl)-1-[(3-ethoxyphenyl)methyl]-3-methylpyrrolidin-2-one?
The canonical SMILES for 5-(2-ethoxy-6-fluorophenyl)-1-[(3-ethoxyphenyl)methyl]-3-methylpyrrolidin-2-one is CCOc1cccc(CN2C(=O)C(C)CC2c2c(F)cccc2OCC)c1.
What is the InChIKey of 5-(2-ethoxy-6-fluorophenyl)-1-[(3-ethoxyphenyl)methyl]-3-methylpyrrolidin-2-one?
The InChIKey is LWBJANYLUOJSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FNO3/c1-4-26-17-9-6-8-16(13-17)14-24-19(12-15(3)22(24)25)21-18(23)10-7-11-20(21)27-5-2/h6-11,13,15,19H,4-5,12,14H2,1-3H3.
What are the key properties of 5-(2-ethoxy-6-fluorophenyl)-1-[(3-ethoxyphenyl)methyl]-3-methylpyrrolidin-2-one?
5-(2-ethoxy-6-fluorophenyl)-1-[(3-ethoxyphenyl)methyl]-3-methylpyrrolidin-2-one has a molecular weight of 371.45 g/mol, XLogP of 4.73, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxy-6-fluorophenyl)-1-[(3-ethoxyphenyl)methyl]-3-methylpyrrolidin-2-one is sourced from PubChem (CID 69084515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).