2-[2-(2-hydroxyethyl)phenyl]-1-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]ethanone

C22H18F3NO2 — CID 143032649

IUPAC2-[2-(2-hydroxyethyl)phenyl]-1-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]ethanone
SMILESO=C(Cc1ccccc1CCO)c1ccc(-c2cc(C(F)(F)F)ccn2)cc1
InChIInChI=1S/C22H18F3NO2/c23-22(24,25)19-9-11-26-20(14-19)16-5-7-17(8-6-16)21(28)13-18-4-2-1-3-15(18)10-12-27/h1-9,11,14,27H,10,12-13H2
InChIKeyCWNUMFUUKIVUQU-UHFFFAOYSA-N
MW385.39 g/mol
LogP4.73
Rot. Bonds6

About 2-[2-(2-hydroxyethyl)phenyl]-1-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]ethanone

2-[2-(2-hydroxyethyl)phenyl]-1-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]ethanone (PubChem CID 143032649) has the molecular formula C22H18F3NO2 and a molecular weight of 385.39 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethyl)phenyl]-1-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]ethanone.

Molecular Properties

Compound Name2-[2-(2-hydroxyethyl)phenyl]-1-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]ethanone
PubChem CID143032649
Molecular FormulaC22H18F3NO2
Molecular Weight385.39 g/mol
Exact Mass385.13
IUPAC Name2-[2-(2-hydroxyethyl)phenyl]-1-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]ethanone
SMILESO=C(Cc1ccccc1CCO)c1ccc(-c2cc(C(F)(F)F)ccn2)cc1
InChIInChI=1S/C22H18F3NO2/c23-22(24,25)19-9-11-26-20(14-19)16-5-7-17(8-6-16)21(28)13-18-4-2-1-3-15(18)10-12-27/h1-9,11,14,27H,10,12-13H2
InChIKeyCWNUMFUUKIVUQU-UHFFFAOYSA-N
XLogP4.73
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.39
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]prop-2-enamide
CID 175876313
N-(2-hydroxyphenyl)-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 59673564
N-benzhydryl-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 59673707
N-[2-chloro-4-(trifluoromethyl)phenyl]-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 59673432
N-(2-methoxyethyl)-N-methyl-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 119075124
2-[4-(chloromethyl)phenyl]-4-(trifluoromethyl)pyridine;hydrochloride
CID 176896090
N-(4-tert-butylcyclohexyl)-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 59672796
N-[[4-(dimethylamino)phenyl]methyl]-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 59673779
N-(2-oxo-1H-pyridin-4-yl)-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 143032463
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 59673106
2-(2-bromophenyl)-1-[4-(trifluoromethyl)phenyl]ethanone
CID 24723916
N-(2,6-dimethylpyrimidin-4-yl)-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 59673003

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethyl)phenyl]-1-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]ethanone?
The IUPAC name of 2-[2-(2-hydroxyethyl)phenyl]-1-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]ethanone (CID 143032649) is 2-[2-(2-hydroxyethyl)phenyl]-1-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]ethanone.
What is the SMILES notation for 2-[2-(2-hydroxyethyl)phenyl]-1-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]ethanone?
The canonical SMILES for 2-[2-(2-hydroxyethyl)phenyl]-1-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]ethanone is O=C(Cc1ccccc1CCO)c1ccc(-c2cc(C(F)(F)F)ccn2)cc1.
What is the InChIKey of 2-[2-(2-hydroxyethyl)phenyl]-1-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]ethanone?
The InChIKey is CWNUMFUUKIVUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3NO2/c23-22(24,25)19-9-11-26-20(14-19)16-5-7-17(8-6-16)21(28)13-18-4-2-1-3-15(18)10-12-27/h1-9,11,14,27H,10,12-13H2.
What are the key properties of 2-[2-(2-hydroxyethyl)phenyl]-1-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]ethanone?
2-[2-(2-hydroxyethyl)phenyl]-1-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]ethanone has a molecular weight of 385.39 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethyl)phenyl]-1-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]ethanone is sourced from PubChem (CID 143032649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).