[(2S)-1-(4-phenylphenyl)pyrrolidin-2-yl]methanol;5-(trifluoromethyl)-1H-pyridin-2-one

C23H23F3N2O2 — CID 156815461

IUPAC[(2S)-1-(4-phenylphenyl)pyrrolidin-2-yl]methanol;5-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1ccc(C(F)(F)F)c[nH]1.OC[C@@H]1CCCN1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H19NO.C6H4F3NO/c19-13-17-7-4-12-18(17)16-10-8-15(9-11-16)14-5-2-1-3-6-14;7-6(8,9)4-1-2-5(11)10-3-4/h1-3,5-6,8-11,17,19H,4,7,12-13H2;1-3H,(H,10,11)/t17-;/m0./s1
InChIKeyQWDXBXGXJMBBGE-LMOVPXPDSA-N
MW416.44 g/mol
LogP4.71
Rot. Bonds3

About [(2S)-1-(4-phenylphenyl)pyrrolidin-2-yl]methanol;5-(trifluoromethyl)-1H-pyridin-2-one

[(2S)-1-(4-phenylphenyl)pyrrolidin-2-yl]methanol;5-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 156815461) has the molecular formula C23H23F3N2O2 and a molecular weight of 416.44 g/mol. Its IUPAC name is [(2S)-1-(4-phenylphenyl)pyrrolidin-2-yl]methanol;5-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name[(2S)-1-(4-phenylphenyl)pyrrolidin-2-yl]methanol;5-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID156815461
Molecular FormulaC23H23F3N2O2
Molecular Weight416.44 g/mol
Exact Mass416.17
IUPAC Name[(2S)-1-(4-phenylphenyl)pyrrolidin-2-yl]methanol;5-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1ccc(C(F)(F)F)c[nH]1.OC[C@@H]1CCCN1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H19NO.C6H4F3NO/c19-13-17-7-4-12-18(17)16-10-8-15(9-11-16)14-5-2-1-3-6-14;7-6(8,9)4-1-2-5(11)10-3-4/h1-3,5-6,8-11,17,19H,4,7,12-13H2;1-3H,(H,10,11)/t17-;/m0./s1
InChIKeyQWDXBXGXJMBBGE-LMOVPXPDSA-N
XLogP4.71
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 ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(2S)-1-(4-phenylphenyl)pyrrolidin-2-yl]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

3-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]propan-1-ol
CID 62648788
4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]benzenesulfonic acid
CID 91451326
[2-(hydroxymethyl)pyrrolidin-1-yl]-[4-[4-(trifluoromethyl)phenyl]phenyl]methanone
CID 67371292
[(2S)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]sulfonylpyrrolidin-2-yl]methanol
CID 174971358
[(2R)-1-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanol
CID 143518892
2-phenyl-N-[[(2S)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methyl]acetamide;2,2,2-trifluoroacetaldehyde
CID 161121216
6-chloro-5-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]phenyl]-1,3-dihydroindol-2-one
CID 121317051
3-(1-phenylpyrrolidin-2-yl)propanoic acid
CID 117028652
[(2S,4R)-1-(4-phenylphenyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-2-yl]methanol
CID 166004234
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone
CID 79027798
[(2S)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]methanol
CID 124506768
7-[2-(hydroxymethyl)piperidin-1-yl]-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one
CID 23156872

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(4-phenylphenyl)pyrrolidin-2-yl]methanol;5-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of [(2S)-1-(4-phenylphenyl)pyrrolidin-2-yl]methanol;5-(trifluoromethyl)-1H-pyridin-2-one (CID 156815461) is [(2S)-1-(4-phenylphenyl)pyrrolidin-2-yl]methanol;5-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for [(2S)-1-(4-phenylphenyl)pyrrolidin-2-yl]methanol;5-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for [(2S)-1-(4-phenylphenyl)pyrrolidin-2-yl]methanol;5-(trifluoromethyl)-1H-pyridin-2-one is O=c1ccc(C(F)(F)F)c[nH]1.OC[C@@H]1CCCN1c1ccc(-c2ccccc2)cc1.
What is the InChIKey of [(2S)-1-(4-phenylphenyl)pyrrolidin-2-yl]methanol;5-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is QWDXBXGXJMBBGE-LMOVPXPDSA-N. The full InChI is InChI=1S/C17H19NO.C6H4F3NO/c19-13-17-7-4-12-18(17)16-10-8-15(9-11-16)14-5-2-1-3-6-14;7-6(8,9)4-1-2-5(11)10-3-4/h1-3,5-6,8-11,17,19H,4,7,12-13H2;1-3H,(H,10,11)/t17-;/m0./s1.
What are the key properties of [(2S)-1-(4-phenylphenyl)pyrrolidin-2-yl]methanol;5-(trifluoromethyl)-1H-pyridin-2-one?
[(2S)-1-(4-phenylphenyl)pyrrolidin-2-yl]methanol;5-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 416.44 g/mol, XLogP of 4.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(4-phenylphenyl)pyrrolidin-2-yl]methanol;5-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 156815461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).