3-fluoro-N-[1-[2-(3-phenylphenoxy)ethyl]pyrrolidin-3-yl]benzamide

C25H25FN2O2 — CID 71449628

IUPAC3-fluoro-N-[1-[2-(3-phenylphenoxy)ethyl]pyrrolidin-3-yl]benzamide
SMILESO=C(NC1CCN(CCOc2cccc(-c3ccccc3)c2)C1)c1cccc(F)c1
InChIInChI=1S/C25H25FN2O2/c26-22-10-4-9-21(16-22)25(29)27-23-12-13-28(18-23)14-15-30-24-11-5-8-20(17-24)19-6-2-1-3-7-19/h1-11,16-17,23H,12-15,18H2,(H,27,29)
InChIKeyCLTQTINJWOQTJV-UHFFFAOYSA-N
MW404.49 g/mol
LogP4.38
Rot. Bonds7

About 3-fluoro-N-[1-[2-(3-phenylphenoxy)ethyl]pyrrolidin-3-yl]benzamide

3-fluoro-N-[1-[2-(3-phenylphenoxy)ethyl]pyrrolidin-3-yl]benzamide (PubChem CID 71449628) has the molecular formula C25H25FN2O2 and a molecular weight of 404.49 g/mol. Its IUPAC name is 3-fluoro-N-[1-[2-(3-phenylphenoxy)ethyl]pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[1-[2-(3-phenylphenoxy)ethyl]pyrrolidin-3-yl]benzamide
PubChem CID71449628
Molecular FormulaC25H25FN2O2
Molecular Weight404.49 g/mol
Exact Mass404.19
IUPAC Name3-fluoro-N-[1-[2-(3-phenylphenoxy)ethyl]pyrrolidin-3-yl]benzamide
SMILESO=C(NC1CCN(CCOc2cccc(-c3ccccc3)c2)C1)c1cccc(F)c1
InChIInChI=1S/C25H25FN2O2/c26-22-10-4-9-21(16-22)25(29)27-23-12-13-28(18-23)14-15-30-24-11-5-8-20(17-24)19-6-2-1-3-7-19/h1-11,16-17,23H,12-15,18H2,(H,27,29)
InChIKeyCLTQTINJWOQTJV-UHFFFAOYSA-N
XLogP4.38
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[1-[2-(3-phenylphenoxy)ethyl]pyrrolidin-3-yl]benzamide?
The IUPAC name of 3-fluoro-N-[1-[2-(3-phenylphenoxy)ethyl]pyrrolidin-3-yl]benzamide (CID 71449628) is 3-fluoro-N-[1-[2-(3-phenylphenoxy)ethyl]pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 3-fluoro-N-[1-[2-(3-phenylphenoxy)ethyl]pyrrolidin-3-yl]benzamide?
The canonical SMILES for 3-fluoro-N-[1-[2-(3-phenylphenoxy)ethyl]pyrrolidin-3-yl]benzamide is O=C(NC1CCN(CCOc2cccc(-c3ccccc3)c2)C1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[1-[2-(3-phenylphenoxy)ethyl]pyrrolidin-3-yl]benzamide?
The InChIKey is CLTQTINJWOQTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O2/c26-22-10-4-9-21(16-22)25(29)27-23-12-13-28(18-23)14-15-30-24-11-5-8-20(17-24)19-6-2-1-3-7-19/h1-11,16-17,23H,12-15,18H2,(H,27,29).
What are the key properties of 3-fluoro-N-[1-[2-(3-phenylphenoxy)ethyl]pyrrolidin-3-yl]benzamide?
3-fluoro-N-[1-[2-(3-phenylphenoxy)ethyl]pyrrolidin-3-yl]benzamide has a molecular weight of 404.49 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[1-[2-(3-phenylphenoxy)ethyl]pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 71449628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).