(5S)-5-[(4-fluorophenoxy)methyl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one

C19H20FNO3 — CID 70109673

IUPAC(5S)-5-[(4-fluorophenoxy)methyl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
SMILESCOc1ccc(CN2C(=O)CC[C@H]2COc2ccc(F)cc2)cc1
InChIInChI=1S/C19H20FNO3/c1-23-17-7-2-14(3-8-17)12-21-16(6-11-19(21)22)13-24-18-9-4-15(20)5-10-18/h2-5,7-10,16H,6,11-13H2,1H3/t16-/m0/s1
InChIKeyJPDVJSXUNOYIJP-INIZCTEOSA-N
MW329.37 g/mol
LogP3.40
Rot. Bonds6

About (5S)-5-[(4-fluorophenoxy)methyl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one

(5S)-5-[(4-fluorophenoxy)methyl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one (PubChem CID 70109673) has the molecular formula C19H20FNO3 and a molecular weight of 329.37 g/mol. Its IUPAC name is (5S)-5-[(4-fluorophenoxy)methyl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[(4-fluorophenoxy)methyl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
PubChem CID70109673
Molecular FormulaC19H20FNO3
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Name(5S)-5-[(4-fluorophenoxy)methyl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
SMILESCOc1ccc(CN2C(=O)CC[C@H]2COc2ccc(F)cc2)cc1
InChIInChI=1S/C19H20FNO3/c1-23-17-7-2-14(3-8-17)12-21-16(6-11-19(21)22)13-24-18-9-4-15(20)5-10-18/h2-5,7-10,16H,6,11-13H2,1H3/t16-/m0/s1
InChIKeyJPDVJSXUNOYIJP-INIZCTEOSA-N
XLogP3.40
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(4-fluorophenoxy)methyl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one?
The IUPAC name of (5S)-5-[(4-fluorophenoxy)methyl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one (CID 70109673) is (5S)-5-[(4-fluorophenoxy)methyl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-[(4-fluorophenoxy)methyl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for (5S)-5-[(4-fluorophenoxy)methyl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one is COc1ccc(CN2C(=O)CC[C@H]2COc2ccc(F)cc2)cc1.
What is the InChIKey of (5S)-5-[(4-fluorophenoxy)methyl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one?
The InChIKey is JPDVJSXUNOYIJP-INIZCTEOSA-N. The full InChI is InChI=1S/C19H20FNO3/c1-23-17-7-2-14(3-8-17)12-21-16(6-11-19(21)22)13-24-18-9-4-15(20)5-10-18/h2-5,7-10,16H,6,11-13H2,1H3/t16-/m0/s1.
What are the key properties of (5S)-5-[(4-fluorophenoxy)methyl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one?
(5S)-5-[(4-fluorophenoxy)methyl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one has a molecular weight of 329.37 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(4-fluorophenoxy)methyl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 70109673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).