(5-phenyl-2-pyrrolidin-1-ylphenyl)methanol;5-(trifluoromethyl)-1H-pyridin-2-one

C23H23F3N2O2 — CID 156814432

IUPAC(5-phenyl-2-pyrrolidin-1-ylphenyl)methanol;5-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1ccc(C(F)(F)F)c[nH]1.OCc1cc(-c2ccccc2)ccc1N1CCCC1
InChIInChI=1S/C17H19NO.C6H4F3NO/c19-13-16-12-15(14-6-2-1-3-7-14)8-9-17(16)18-10-4-5-11-18;7-6(8,9)4-1-2-5(11)10-3-4/h1-3,6-9,12,19H,4-5,10-11,13H2;1-3H,(H,10,11)
InChIKeyISQMZUXWFFSHSC-UHFFFAOYSA-N
MW416.44 g/mol
LogP4.84
Rot. Bonds3

About (5-phenyl-2-pyrrolidin-1-ylphenyl)methanol;5-(trifluoromethyl)-1H-pyridin-2-one

(5-phenyl-2-pyrrolidin-1-ylphenyl)methanol;5-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 156814432) has the molecular formula C23H23F3N2O2 and a molecular weight of 416.44 g/mol. Its IUPAC name is (5-phenyl-2-pyrrolidin-1-ylphenyl)methanol;5-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name(5-phenyl-2-pyrrolidin-1-ylphenyl)methanol;5-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID156814432
Molecular FormulaC23H23F3N2O2
Molecular Weight416.44 g/mol
Exact Mass416.17
IUPAC Name(5-phenyl-2-pyrrolidin-1-ylphenyl)methanol;5-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1ccc(C(F)(F)F)c[nH]1.OCc1cc(-c2ccccc2)ccc1N1CCCC1
InChIInChI=1S/C17H19NO.C6H4F3NO/c19-13-16-12-15(14-6-2-1-3-7-14)8-9-17(16)18-10-4-5-11-18;7-6(8,9)4-1-2-5(11)10-3-4/h1-3,6-9,12,19H,4-5,10-11,13H2;1-3H,(H,10,11)
InChIKeyISQMZUXWFFSHSC-UHFFFAOYSA-N
XLogP4.84
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (5-phenyl-2-pyrrolidin-1-ylphenyl)methanol;5-(trifluoromethyl)-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S)-1-(4-phenylphenyl)pyrrolidin-2-yl]methanol;5-(trifluoromethyl)-1H-pyridin-2-one
CID 156815461
[5-phenyl-2-[(3S)-3-[4-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]phenyl]methanol
CID 166004205
1-(2-propan-2-yloxyphenyl)pyrrolidine;5-(trifluoromethyl)-1H-pyridin-2-one
CID 156814419
[2-(azepan-1-yl)-5-phenylphenyl]methanamine
CID 118138819
5-(N'-ethenylcarbamimidoyl)-2-pyrrolidin-1-ylbenzamide;5-(trifluoromethyl)-1H-pyridin-2-one
CID 156815117
lithium;hydride;5-(trifluoromethyl)-1H-pyridin-2-one
CID 175395479
5-phenyl-2-pyrrolidin-1-ylbenzenethiol
CID 156814877
(2-phenyl-5-pyrrolidin-1-yl-4-pyridinyl)methanol
CID 156815347
1-(4-tert-butyl-2-phenylphenyl)pyrrolidine
CID 168512270
3-[4-(trifluoromethyl)phenyl]benzoic acid;[3-[4-(trifluoromethyl)phenyl]phenyl]methanol
CID 162182546
(3S)-1-benzyl-5-oxo-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 25331872
2-iodo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2067749

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-2-pyrrolidin-1-ylphenyl)methanol;5-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of (5-phenyl-2-pyrrolidin-1-ylphenyl)methanol;5-(trifluoromethyl)-1H-pyridin-2-one (CID 156814432) is (5-phenyl-2-pyrrolidin-1-ylphenyl)methanol;5-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for (5-phenyl-2-pyrrolidin-1-ylphenyl)methanol;5-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for (5-phenyl-2-pyrrolidin-1-ylphenyl)methanol;5-(trifluoromethyl)-1H-pyridin-2-one is O=c1ccc(C(F)(F)F)c[nH]1.OCc1cc(-c2ccccc2)ccc1N1CCCC1.
What is the InChIKey of (5-phenyl-2-pyrrolidin-1-ylphenyl)methanol;5-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is ISQMZUXWFFSHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO.C6H4F3NO/c19-13-16-12-15(14-6-2-1-3-7-14)8-9-17(16)18-10-4-5-11-18;7-6(8,9)4-1-2-5(11)10-3-4/h1-3,6-9,12,19H,4-5,10-11,13H2;1-3H,(H,10,11).
What are the key properties of (5-phenyl-2-pyrrolidin-1-ylphenyl)methanol;5-(trifluoromethyl)-1H-pyridin-2-one?
(5-phenyl-2-pyrrolidin-1-ylphenyl)methanol;5-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 416.44 g/mol, XLogP of 4.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-2-pyrrolidin-1-ylphenyl)methanol;5-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 156814432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).