N-[2-hydroxy-5-(trifluoromethyl)phenyl]-2-[(2S)-oxolan-2-yl]acetamide

C13H14F3NO3 — CID 96569116

IUPACN-[2-hydroxy-5-(trifluoromethyl)phenyl]-2-[(2S)-oxolan-2-yl]acetamide
SMILESO=C(C[C@@H]1CCCO1)Nc1cc(C(F)(F)F)ccc1O
InChIInChI=1S/C13H14F3NO3/c14-13(15,16)8-3-4-11(18)10(6-8)17-12(19)7-9-2-1-5-20-9/h3-4,6,9,18H,1-2,5,7H2,(H,17,19)/t9-/m0/s1
InChIKeyHCFFKZXGMUZOAX-VIFPVBQESA-N
MW289.25 g/mol
LogP2.92
Rot. Bonds3

About N-[2-hydroxy-5-(trifluoromethyl)phenyl]-2-[(2S)-oxolan-2-yl]acetamide

N-[2-hydroxy-5-(trifluoromethyl)phenyl]-2-[(2S)-oxolan-2-yl]acetamide (PubChem CID 96569116) has the molecular formula C13H14F3NO3 and a molecular weight of 289.25 g/mol. Its IUPAC name is N-[2-hydroxy-5-(trifluoromethyl)phenyl]-2-[(2S)-oxolan-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-hydroxy-5-(trifluoromethyl)phenyl]-2-[(2S)-oxolan-2-yl]acetamide
PubChem CID96569116
Molecular FormulaC13H14F3NO3
Molecular Weight289.25 g/mol
Exact Mass289.09
IUPAC NameN-[2-hydroxy-5-(trifluoromethyl)phenyl]-2-[(2S)-oxolan-2-yl]acetamide
SMILESO=C(C[C@@H]1CCCO1)Nc1cc(C(F)(F)F)ccc1O
InChIInChI=1S/C13H14F3NO3/c14-13(15,16)8-3-4-11(18)10(6-8)17-12(19)7-9-2-1-5-20-9/h3-4,6,9,18H,1-2,5,7H2,(H,17,19)/t9-/m0/s1
InChIKeyHCFFKZXGMUZOAX-VIFPVBQESA-N
XLogP2.92
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-(oxan-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 110423473
2-(oxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanone
CID 55116317
4-hydroxy-3-[3-(oxolan-2-yl)propanoylamino]benzoic acid
CID 107264659
N-(2,5-dimethylphenyl)-2-(oxolan-2-yl)acetamide
CID 47209144
3-fluoro-4-[[2-[(2S)-oxan-2-yl]acetyl]amino]benzoic acid
CID 129372952
N-(4-amino-2-methylphenyl)-2-(oxolan-2-yl)acetamide
CID 65152082
N-(5-tert-butyl-2-hydroxyphenyl)-2-(oxolan-2-ylmethoxy)propanamide
CID 51126483
N-(2-methyl-5-sulfamoylphenyl)-2-(oxolan-2-yl)acetamide
CID 65159878
(2R)-N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 95286084
N-(5-bromo-2-cyanophenyl)-2-(oxolan-2-yl)acetamide
CID 104880211
N-(2-hydroxy-4-nitrophenyl)-2-(oxan-2-yl)acetamide
CID 107745481
N-(3,5-dimethylphenyl)-2-(oxolan-2-yl)acetamide
CID 47209277

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-5-(trifluoromethyl)phenyl]-2-[(2S)-oxolan-2-yl]acetamide?
The IUPAC name of N-[2-hydroxy-5-(trifluoromethyl)phenyl]-2-[(2S)-oxolan-2-yl]acetamide (CID 96569116) is N-[2-hydroxy-5-(trifluoromethyl)phenyl]-2-[(2S)-oxolan-2-yl]acetamide.
What is the SMILES notation for N-[2-hydroxy-5-(trifluoromethyl)phenyl]-2-[(2S)-oxolan-2-yl]acetamide?
The canonical SMILES for N-[2-hydroxy-5-(trifluoromethyl)phenyl]-2-[(2S)-oxolan-2-yl]acetamide is O=C(C[C@@H]1CCCO1)Nc1cc(C(F)(F)F)ccc1O.
What is the InChIKey of N-[2-hydroxy-5-(trifluoromethyl)phenyl]-2-[(2S)-oxolan-2-yl]acetamide?
The InChIKey is HCFFKZXGMUZOAX-VIFPVBQESA-N. The full InChI is InChI=1S/C13H14F3NO3/c14-13(15,16)8-3-4-11(18)10(6-8)17-12(19)7-9-2-1-5-20-9/h3-4,6,9,18H,1-2,5,7H2,(H,17,19)/t9-/m0/s1.
What are the key properties of N-[2-hydroxy-5-(trifluoromethyl)phenyl]-2-[(2S)-oxolan-2-yl]acetamide?
N-[2-hydroxy-5-(trifluoromethyl)phenyl]-2-[(2S)-oxolan-2-yl]acetamide has a molecular weight of 289.25 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-5-(trifluoromethyl)phenyl]-2-[(2S)-oxolan-2-yl]acetamide is sourced from PubChem (CID 96569116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).