[1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidin-3-yl] hydrogen carbonate

C18H16FNO5 — CID 67411336

IUPAC[1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidin-3-yl] hydrogen carbonate
SMILESO=C(O)OC1CC(=O)N(c2ccc(OCc3cccc(F)c3)cc2)C1
InChIInChI=1S/C18H16FNO5/c19-13-3-1-2-12(8-13)11-24-15-6-4-14(5-7-15)20-10-16(9-17(20)21)25-18(22)23/h1-8,16H,9-11H2,(H,22,23)
InChIKeySQYNCQDOBCAXRA-UHFFFAOYSA-N
MW345.33 g/mol
LogP3.20
Rot. Bonds5

About [1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidin-3-yl] hydrogen carbonate

[1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidin-3-yl] hydrogen carbonate (PubChem CID 67411336) has the molecular formula C18H16FNO5 and a molecular weight of 345.33 g/mol. Its IUPAC name is [1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidin-3-yl] hydrogen carbonate.

Molecular Properties

Compound Name[1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidin-3-yl] hydrogen carbonate
PubChem CID67411336
Molecular FormulaC18H16FNO5
Molecular Weight345.33 g/mol
Exact Mass345.10
IUPAC Name[1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidin-3-yl] hydrogen carbonate
SMILESO=C(O)OC1CC(=O)N(c2ccc(OCc3cccc(F)c3)cc2)C1
InChIInChI=1S/C18H16FNO5/c19-13-3-1-2-12(8-13)11-24-15-6-4-14(5-7-15)20-10-16(9-17(20)21)25-18(22)23/h1-8,16H,9-11H2,(H,22,23)
InChIKeySQYNCQDOBCAXRA-UHFFFAOYSA-N
XLogP3.20
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.33
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidin-3-yl] hydrogen carbonate?
The IUPAC name of [1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidin-3-yl] hydrogen carbonate (CID 67411336) is [1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidin-3-yl] hydrogen carbonate.
What is the SMILES notation for [1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidin-3-yl] hydrogen carbonate?
The canonical SMILES for [1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidin-3-yl] hydrogen carbonate is O=C(O)OC1CC(=O)N(c2ccc(OCc3cccc(F)c3)cc2)C1.
What is the InChIKey of [1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidin-3-yl] hydrogen carbonate?
The InChIKey is SQYNCQDOBCAXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO5/c19-13-3-1-2-12(8-13)11-24-15-6-4-14(5-7-15)20-10-16(9-17(20)21)25-18(22)23/h1-8,16H,9-11H2,(H,22,23).
What are the key properties of [1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidin-3-yl] hydrogen carbonate?
[1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidin-3-yl] hydrogen carbonate has a molecular weight of 345.33 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidin-3-yl] hydrogen carbonate is sourced from PubChem (CID 67411336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).