N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-(trifluoromethyl)benzamide

C17H16F3NO2 — CID 2324672

IUPACN-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-(trifluoromethyl)benzamide
SMILESO=C(N[C@@H](CO)Cc1ccccc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H16F3NO2/c18-17(19,20)15-9-5-4-8-14(15)16(23)21-13(11-22)10-12-6-2-1-3-7-12/h1-9,13,22H,10-11H2,(H,21,23)/t13-/m1/s1
InChIKeyWPEUXRYOHGMMPW-CYBMUJFWSA-N
MW323.31 g/mol
LogP3.04
Rot. Bonds5

About N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-(trifluoromethyl)benzamide

N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-(trifluoromethyl)benzamide (PubChem CID 2324672) has the molecular formula C17H16F3NO2 and a molecular weight of 323.31 g/mol. Its IUPAC name is N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-(trifluoromethyl)benzamide
PubChem CID2324672
Molecular FormulaC17H16F3NO2
Molecular Weight323.31 g/mol
Exact Mass323.11
IUPAC NameN-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-(trifluoromethyl)benzamide
SMILESO=C(N[C@@H](CO)Cc1ccccc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H16F3NO2/c18-17(19,20)15-9-5-4-8-14(15)16(23)21-13(11-22)10-12-6-2-1-3-7-12/h1-9,13,22H,10-11H2,(H,21,23)/t13-/m1/s1
InChIKeyWPEUXRYOHGMMPW-CYBMUJFWSA-N
XLogP3.04
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 42364147
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-(trifluoromethyl)benzamide
CID 52766251
N-(1-hydroxy-3-phenylpropan-2-yl)-2-[2-(trifluoromethyl)phenyl]acetamide
CID 109387993
N-(1-hydroxy-3-phenylpropan-2-yl)-2-iodobenzamide
CID 6709695
2,3-dihydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 102673829
2-benzoyl-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
CID 21190791
N-[(1R)-2-hydroxy-1-phenylethyl]-2-(trifluoromethyl)benzamide
CID 40548744
3-chloro-2-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 107861450
2,3-dichloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 107861388
1-N,3-N,5-N-tris[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzene-1,3,5-tricarboxamide
CID 102400382
5-chloro-2-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
CID 63260573
3,3,3-trifluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]propanamide
CID 95040090

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-(trifluoromethyl)benzamide (CID 2324672) is N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-(trifluoromethyl)benzamide is O=C(N[C@@H](CO)Cc1ccccc1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-(trifluoromethyl)benzamide?
The InChIKey is WPEUXRYOHGMMPW-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H16F3NO2/c18-17(19,20)15-9-5-4-8-14(15)16(23)21-13(11-22)10-12-6-2-1-3-7-12/h1-9,13,22H,10-11H2,(H,21,23)/t13-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-(trifluoromethyl)benzamide?
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-(trifluoromethyl)benzamide has a molecular weight of 323.31 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 2324672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).