N-[(1R)-2-hydroxy-1-phenylethyl]-2-(trifluoromethyl)benzamide

C16H14F3NO2 — CID 40548744

IUPACN-[(1R)-2-hydroxy-1-phenylethyl]-2-(trifluoromethyl)benzamide
SMILESO=C(N[C@@H](CO)c1ccccc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H14F3NO2/c17-16(18,19)13-9-5-4-8-12(13)15(22)20-14(10-21)11-6-2-1-3-7-11/h1-9,14,21H,10H2,(H,20,22)/t14-/m0/s1
InChIKeyKYFGHNUYADHUHE-AWEZNQCLSA-N
MW309.29 g/mol
LogP3.17
Rot. Bonds4

About N-[(1R)-2-hydroxy-1-phenylethyl]-2-(trifluoromethyl)benzamide

N-[(1R)-2-hydroxy-1-phenylethyl]-2-(trifluoromethyl)benzamide (PubChem CID 40548744) has the molecular formula C16H14F3NO2 and a molecular weight of 309.29 g/mol. Its IUPAC name is N-[(1R)-2-hydroxy-1-phenylethyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(1R)-2-hydroxy-1-phenylethyl]-2-(trifluoromethyl)benzamide
PubChem CID40548744
Molecular FormulaC16H14F3NO2
Molecular Weight309.29 g/mol
Exact Mass309.10
IUPAC NameN-[(1R)-2-hydroxy-1-phenylethyl]-2-(trifluoromethyl)benzamide
SMILESO=C(N[C@@H](CO)c1ccccc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H14F3NO2/c17-16(18,19)13-9-5-4-8-12(13)15(22)20-14(10-21)11-6-2-1-3-7-11/h1-9,14,21H,10H2,(H,20,22)/t14-/m0/s1
InChIKeyKYFGHNUYADHUHE-AWEZNQCLSA-N
XLogP3.17
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 3315693
2-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 39374837
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-(trifluoromethyl)benzamide
CID 2324672
N-[(1R)-2-hydroxy-1-phenylethyl]-2-iodobenzamide
CID 103772803
N-[(1S)-2-hydroxy-1-phenylethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 110001816
2,2,2-trifluoro-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 15653812
N-(2-hydroxy-1-phenylethyl)benzamide
CID 14150746
N-[(1S)-2-hydroxy-1-phenylethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 103945014
N-[(1R)-2-hydroxy-1-phenylethyl]-2-methoxybenzamide
CID 39370043
3-amino-2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 58736733
2-chloro-2,2-difluoro-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
CID 40562691
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-(trifluoromethyl)benzamide
CID 52766251

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-hydroxy-1-phenylethyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[(1R)-2-hydroxy-1-phenylethyl]-2-(trifluoromethyl)benzamide (CID 40548744) is N-[(1R)-2-hydroxy-1-phenylethyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(1R)-2-hydroxy-1-phenylethyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(1R)-2-hydroxy-1-phenylethyl]-2-(trifluoromethyl)benzamide is O=C(N[C@@H](CO)c1ccccc1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[(1R)-2-hydroxy-1-phenylethyl]-2-(trifluoromethyl)benzamide?
The InChIKey is KYFGHNUYADHUHE-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H14F3NO2/c17-16(18,19)13-9-5-4-8-12(13)15(22)20-14(10-21)11-6-2-1-3-7-11/h1-9,14,21H,10H2,(H,20,22)/t14-/m0/s1.
What are the key properties of N-[(1R)-2-hydroxy-1-phenylethyl]-2-(trifluoromethyl)benzamide?
N-[(1R)-2-hydroxy-1-phenylethyl]-2-(trifluoromethyl)benzamide has a molecular weight of 309.29 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-hydroxy-1-phenylethyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 40548744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).