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

C25H24F2N2O2 — CID 71453278

IUPAC2,3-difluoro-N-[1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]benzamide
SMILESO=C(NC1CCN(CCOc2ccccc2-c2ccccc2)C1)c1cccc(F)c1F
InChIInChI=1S/C25H24F2N2O2/c26-22-11-6-10-21(24(22)27)25(30)28-19-13-14-29(17-19)15-16-31-23-12-5-4-9-20(23)18-7-2-1-3-8-18/h1-12,19H,13-17H2,(H,28,30)
InChIKeyFNXIHIMNVBDVAC-UHFFFAOYSA-N
MW422.48 g/mol
LogP4.51
Rot. Bonds7

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

2,3-difluoro-N-[1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]benzamide (PubChem CID 71453278) has the molecular formula C25H24F2N2O2 and a molecular weight of 422.48 g/mol. Its IUPAC name is 2,3-difluoro-N-[1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name2,3-difluoro-N-[1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]benzamide
PubChem CID71453278
Molecular FormulaC25H24F2N2O2
Molecular Weight422.48 g/mol
Exact Mass422.18
IUPAC Name2,3-difluoro-N-[1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]benzamide
SMILESO=C(NC1CCN(CCOc2ccccc2-c2ccccc2)C1)c1cccc(F)c1F
InChIInChI=1S/C25H24F2N2O2/c26-22-11-6-10-21(24(22)27)25(30)28-19-13-14-29(17-19)15-16-31-23-12-5-4-9-20(23)18-7-2-1-3-8-18/h1-12,19H,13-17H2,(H,28,30)
InChIKeyFNXIHIMNVBDVAC-UHFFFAOYSA-N
XLogP4.51
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-[1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]benzamide?
The IUPAC name of 2,3-difluoro-N-[1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]benzamide (CID 71453278) is 2,3-difluoro-N-[1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 2,3-difluoro-N-[1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]benzamide?
The canonical SMILES for 2,3-difluoro-N-[1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]benzamide is O=C(NC1CCN(CCOc2ccccc2-c2ccccc2)C1)c1cccc(F)c1F.
What is the InChIKey of 2,3-difluoro-N-[1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]benzamide?
The InChIKey is FNXIHIMNVBDVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N2O2/c26-22-11-6-10-21(24(22)27)25(30)28-19-13-14-29(17-19)15-16-31-23-12-5-4-9-20(23)18-7-2-1-3-8-18/h1-12,19H,13-17H2,(H,28,30).
What are the key properties of 2,3-difluoro-N-[1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]benzamide?
2,3-difluoro-N-[1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]benzamide has a molecular weight of 422.48 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-[1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 71453278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).