2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide

C19H20F4N2O2 — CID 162379824

IUPAC2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide
SMILESCCCN(C[C@@H](O)c1cccnc1)C(=O)Cc1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C19H20F4N2O2/c1-2-8-25(12-17(26)14-4-3-7-24-11-14)18(27)10-13-5-6-15(16(20)9-13)19(21,22)23/h3-7,9,11,17,26H,2,8,10,12H2,1H3/t17-/m1/s1
InChIKeyHHCFDHIFIHDQLU-QGZVFWFLSA-N
MW384.37 g/mol
LogP3.75
Rot. Bonds7

About 2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide

2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide (PubChem CID 162379824) has the molecular formula C19H20F4N2O2 and a molecular weight of 384.37 g/mol. Its IUPAC name is 2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide.

Molecular Properties

Compound Name2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide
PubChem CID162379824
Molecular FormulaC19H20F4N2O2
Molecular Weight384.37 g/mol
Exact Mass384.15
IUPAC Name2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide
SMILESCCCN(C[C@@H](O)c1cccnc1)C(=O)Cc1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C19H20F4N2O2/c1-2-8-25(12-17(26)14-4-3-7-24-11-14)18(27)10-13-5-6-15(16(20)9-13)19(21,22)23/h3-7,9,11,17,26H,2,8,10,12H2,1H3/t17-/m1/s1
InChIKeyHHCFDHIFIHDQLU-QGZVFWFLSA-N
XLogP3.75
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.37
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-hydroxy-3-methyl-5-(3-pyridinyl)-4H-pyrazol-1-yl]-2-(4-methylphenyl)ethanone
CID 3123702
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-16-pyridin-1-ium-1-ylhexadecanamide bromide
CID 11512281
N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-16-pyridin-1-ium-1-ylhexadecanamide bromide
CID 11713683
(R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)ethyl)phenyl)-2-phenylacetamide
CID 46881529
US11078186, Example 98
CID 147712380
N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxetan-3-ylmethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 162379650
Preparation of N-[(2S)-2-Hydroxy-2-(3-Pyridyl)Ethyl]-N-Propyl-2-[6-(Trifluoromethyl)-3-Pyridyl]Acetamide
CID 162379661
N-[2-hydroxy-2-(4-methyl-3-pyridinyl)ethyl]-N-(oxetan-3-ylmethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 162379668
N-[2-hydroxy-2-(4-propan-2-yl-3-pyridinyl)ethyl]-N-(oxetan-3-ylmethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 162379679
N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2-[5-(trifluoromethyl)-2-pyridinyl]acetamide
CID 162379695
5,6-difluoro-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2,3-dihydro-1H-indene-2-carboxamide
CID 162379705
N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propan-2-yl-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 162379713

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide?
The IUPAC name of 2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide (CID 162379824) is 2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide.
What is the SMILES notation for 2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide?
The canonical SMILES for 2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide is CCCN(C[C@@H](O)c1cccnc1)C(=O)Cc1ccc(C(F)(F)F)c(F)c1.
What is the InChIKey of 2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide?
The InChIKey is HHCFDHIFIHDQLU-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H20F4N2O2/c1-2-8-25(12-17(26)14-4-3-7-24-11-14)18(27)10-13-5-6-15(16(20)9-13)19(21,22)23/h3-7,9,11,17,26H,2,8,10,12H2,1H3/t17-/m1/s1.
What are the key properties of 2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide?
2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide has a molecular weight of 384.37 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide is sourced from PubChem (CID 162379824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).