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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Related Compounds

benzene;N-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]pyrrolidine-3-carboxamide
CID 156839339
4-phenyl-N-(3-pyrimidin-5-ylphenyl)pyrrolidine-3-carboxamide
CID 156839359
(3S,4R)-4-phenyl-N-[3-(pyridin-3-ylamino)phenyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 162471027
(3S,4R)-N-[3-(oxan-4-yloxy)phenyl]-4-phenylpyrrolidine-3-carboxamide;hydrochloride
CID 161099251
4-cyclohexa-1,5-dien-1-yl-N-(3-pyridin-3-yloxyphenyl)pyrrolidine-3-carboxamide
CID 159751793
tert-butyl (3S,4R)-3-[[3-(3-methylphenoxy)phenyl]carbamoyl]-4-phenylpyrrolidine-1-carboxylate;3-(3-methylphenoxy)aniline;(3S,4R)-N-[3-(3-methylphenoxy)phenyl]-4-phenylpyrrolidine-3-carboxamide;(3S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpyrrolidine-3-carboxylic acid
CID 159591355
trans-(1R,2R)-2-phenyl-N-(3-pyridazin-3-yloxyphenyl)cyclopropane-1-carboxamide
CID 166194550
(3S,4R)-4-phenyl-N-(4-phenylphenyl)pyrrolidine-3-carboxamide
CID 158843512
(3S,4R)-N-isoquinolin-5-yl-4-phenylpyrrolidine-3-carboxamide
CID 156839400
5-nitro-N-(3-phenoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-7-carboxamide
CID 78371679
(3R,4S)-N-(3-acetamidophenyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120917163
2-phenoxy-N-[(3S)-1-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]pyrrolidin-3-yl]acetamide
CID 177185716

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).