4-phenyl-N-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]pyrrolidine-3-carboxamide

C23H20F3N3O2 — CID 166790595

IUPAC4-phenyl-N-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc(Oc2ccc(C(F)(F)F)nc2)c1)C1CNCC1c1ccccc1
InChIInChI=1S/C23H20F3N3O2/c24-23(25,26)21-10-9-18(12-28-21)31-17-8-4-7-16(11-17)29-22(30)20-14-27-13-19(20)15-5-2-1-3-6-15/h1-12,19-20,27H,13-14H2,(H,29,30)
InChIKeyMWOOVGOEKYLNNZ-UHFFFAOYSA-N
MW427.43 g/mol
LogP4.83
Rot. Bonds5

About 4-phenyl-N-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]pyrrolidine-3-carboxamide

4-phenyl-N-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]pyrrolidine-3-carboxamide (PubChem CID 166790595) has the molecular formula C23H20F3N3O2 and a molecular weight of 427.43 g/mol. Its IUPAC name is 4-phenyl-N-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name4-phenyl-N-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]pyrrolidine-3-carboxamide
PubChem CID166790595
Molecular FormulaC23H20F3N3O2
Molecular Weight427.43 g/mol
Exact Mass427.15
IUPAC Name4-phenyl-N-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc(Oc2ccc(C(F)(F)F)nc2)c1)C1CNCC1c1ccccc1
InChIInChI=1S/C23H20F3N3O2/c24-23(25,26)21-10-9-18(12-28-21)31-17-8-4-7-16(11-17)29-22(30)20-14-27-13-19(20)15-5-2-1-3-6-15/h1-12,19-20,27H,13-14H2,(H,29,30)
InChIKeyMWOOVGOEKYLNNZ-UHFFFAOYSA-N
XLogP4.83
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.43
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 4-phenyl-N-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]pyrrolidine-3-carboxamide (CID 166790595) is 4-phenyl-N-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 4-phenyl-N-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 4-phenyl-N-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]pyrrolidine-3-carboxamide is O=C(Nc1cccc(Oc2ccc(C(F)(F)F)nc2)c1)C1CNCC1c1ccccc1.
What is the InChIKey of 4-phenyl-N-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]pyrrolidine-3-carboxamide?
The InChIKey is MWOOVGOEKYLNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N3O2/c24-23(25,26)21-10-9-18(12-28-21)31-17-8-4-7-16(11-17)29-22(30)20-14-27-13-19(20)15-5-2-1-3-6-15/h1-12,19-20,27H,13-14H2,(H,29,30).
What are the key properties of 4-phenyl-N-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]pyrrolidine-3-carboxamide?
4-phenyl-N-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]pyrrolidine-3-carboxamide has a molecular weight of 427.43 g/mol, XLogP of 4.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 166790595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).