2,2,2-trifluoro-N-[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]acetamide

C20H16F3N3O2 — CID 87216450

IUPAC2,2,2-trifluoro-N-[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]acetamide
SMILESO=C(N[C@H](c1ccccc1)C(O)(c1cccnc1)c1cccnc1)C(F)(F)F
InChIInChI=1S/C20H16F3N3O2/c21-20(22,23)18(27)26-17(14-6-2-1-3-7-14)19(28,15-8-4-10-24-12-15)16-9-5-11-25-13-16/h1-13,17,28H,(H,26,27)/t17-/m1/s1
InChIKeyUUIYWNWIQJERKX-QGZVFWFLSA-N
MW387.36 g/mol
LogP3.13
Rot. Bonds5

About 2,2,2-trifluoro-N-[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]acetamide

2,2,2-trifluoro-N-[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]acetamide (PubChem CID 87216450) has the molecular formula C20H16F3N3O2 and a molecular weight of 387.36 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]acetamide
PubChem CID87216450
Molecular FormulaC20H16F3N3O2
Molecular Weight387.36 g/mol
Exact Mass387.12
IUPAC Name2,2,2-trifluoro-N-[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]acetamide
SMILESO=C(N[C@H](c1ccccc1)C(O)(c1cccnc1)c1cccnc1)C(F)(F)F
InChIInChI=1S/C20H16F3N3O2/c21-20(22,23)18(27)26-17(14-6-2-1-3-7-14)19(28,15-8-4-10-24-12-15)16-9-5-11-25-13-16/h1-13,17,28H,(H,26,27)/t17-/m1/s1
InChIKeyUUIYWNWIQJERKX-QGZVFWFLSA-N
XLogP3.13
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.36
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]amino]-2-oxoethyl]benzamide
CID 69101909
trans-(1R,2R)-N-[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]-2-phenylcyclopropane-1-carboxamide
CID 66962407
N-[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]-2-phenylmethoxyacetamide
CID 57425636
2-(ethylamino)-2-phenyl-1,1-dipyridin-3-ylethanol
CID 66962752
4-amino-3-hydroxy-N-(2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl)-2-(2-phenylethyl)butanamide
CID 70796512
N-(2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl)-3-methoxybenzamide
CID 77212044
N-[(1S)-2,2-dimethyl-1-phenylpropyl]-2,2,2-trifluoroacetamide
CID 11097278
N-[(1R)-1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-4-phenylbutanamide
CID 57425638
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl)acetamide
CID 72986960
tert-butyl N-[(2S)-1-[[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]amino]-1-oxo-4-phenylbutan-2-yl]carbamate
CID 59706147
N-[(1R)-1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 11546957
methyl N-[(2S)-1-[[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]amino]-1-oxo-4-phenylbutan-2-yl]methanimidate
CID 59706143

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]acetamide (CID 87216450) is 2,2,2-trifluoro-N-[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]acetamide is O=C(N[C@H](c1ccccc1)C(O)(c1cccnc1)c1cccnc1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]acetamide?
The InChIKey is UUIYWNWIQJERKX-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H16F3N3O2/c21-20(22,23)18(27)26-17(14-6-2-1-3-7-14)19(28,15-8-4-10-24-12-15)16-9-5-11-25-13-16/h1-13,17,28H,(H,26,27)/t17-/m1/s1.
What are the key properties of 2,2,2-trifluoro-N-[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]acetamide?
2,2,2-trifluoro-N-[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]acetamide has a molecular weight of 387.36 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]acetamide is sourced from PubChem (CID 87216450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).