N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-phenoxyacetamide

C17H16F3NO3 — CID 94810445

IUPACN-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NC[C@@H](O)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H16F3NO3/c18-17(19,20)14-9-5-4-8-13(14)15(22)10-21-16(23)11-24-12-6-2-1-3-7-12/h1-9,15,22H,10-11H2,(H,21,23)/t15-/m1/s1
InChIKeyJIMARDSQZAJAPZ-OAHLLOKOSA-N
MW339.31 g/mol
LogP2.93
Rot. Bonds6

About N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-phenoxyacetamide

N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-phenoxyacetamide (PubChem CID 94810445) has the molecular formula C17H16F3NO3 and a molecular weight of 339.31 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-phenoxyacetamide
PubChem CID94810445
Molecular FormulaC17H16F3NO3
Molecular Weight339.31 g/mol
Exact Mass339.11
IUPAC NameN-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NC[C@@H](O)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H16F3NO3/c18-17(19,20)14-9-5-4-8-13(14)15(22)10-21-16(23)11-24-12-6-2-1-3-7-12/h1-9,15,22H,10-11H2,(H,21,23)/t15-/m1/s1
InChIKeyJIMARDSQZAJAPZ-OAHLLOKOSA-N
XLogP2.93
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.31
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-phenoxyacetamide
CID 90534682
N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-4-methylpentanamide
CID 60591572
N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-4-methoxybenzamide
CID 94816564
2-phenoxy-N-[3-[2-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide
CID 90550785
2-(4-ethylphenoxy)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]acetamide
CID 111566092
(3S)-3-hydroxy-3-[2-(trifluoromethyl)phenyl]propanoic acid
CID 94425338
(1R)-2-(benzylamino)-1-[2-(trifluoromethyl)phenyl]ethanol
CID 94190174
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 55628559
N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]pyridine-4-carboxamide
CID 51094257
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(3-methylphenoxy)acetamide
CID 111119904
4-[4-[[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]carbamoyl]phenoxy]benzamide
CID 56565950
N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-2-phenoxyacetamide
CID 21426688

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-phenoxyacetamide?
The IUPAC name of N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-phenoxyacetamide (CID 94810445) is N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-phenoxyacetamide?
The canonical SMILES for N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-phenoxyacetamide is O=C(COc1ccccc1)NC[C@@H](O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-phenoxyacetamide?
The InChIKey is JIMARDSQZAJAPZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H16F3NO3/c18-17(19,20)14-9-5-4-8-13(14)15(22)10-21-16(23)11-24-12-6-2-1-3-7-12/h1-9,15,22H,10-11H2,(H,21,23)/t15-/m1/s1.
What are the key properties of N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-phenoxyacetamide?
N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-phenoxyacetamide has a molecular weight of 339.31 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-phenoxyacetamide is sourced from PubChem (CID 94810445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).