3,4,5-trifluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide

C15H12F3NO2 — CID 103772740

IUPAC3,4,5-trifluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
SMILESO=C(N[C@@H](CO)c1ccccc1)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C15H12F3NO2/c16-11-6-10(7-12(17)14(11)18)15(21)19-13(8-20)9-4-2-1-3-5-9/h1-7,13,20H,8H2,(H,19,21)/t13-/m0/s1
InChIKeyAUCRKFPJIHWCBW-ZDUSSCGKSA-N
MW295.26 g/mol
LogP2.57
Rot. Bonds4

About 3,4,5-trifluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide

3,4,5-trifluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide (PubChem CID 103772740) has the molecular formula C15H12F3NO2 and a molecular weight of 295.26 g/mol. Its IUPAC name is 3,4,5-trifluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide.

Molecular Properties

Compound Name3,4,5-trifluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
PubChem CID103772740
Molecular FormulaC15H12F3NO2
Molecular Weight295.26 g/mol
Exact Mass295.08
IUPAC Name3,4,5-trifluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
SMILESO=C(N[C@@H](CO)c1ccccc1)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C15H12F3NO2/c16-11-6-10(7-12(17)14(11)18)15(21)19-13(8-20)9-4-2-1-3-5-9/h1-7,13,20H,8H2,(H,19,21)/t13-/m0/s1
InChIKeyAUCRKFPJIHWCBW-ZDUSSCGKSA-N
XLogP2.57
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-N,3-N,5-N-tris(2-hydroxy-1-phenylethyl)benzene-1,3,5-tricarboxamide
CID 139248401
N-(2-chloro-1-phenylethyl)-3,4,5-trifluorobenzamide
CID 114300143
3,4,5-trifluoro-N-(1-phenylpropyl)benzamide
CID 63189526
3-amino-5-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methylbenzamide
CID 107861714
4-chloro-3-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 103944860
N-(2-hydroxy-1-phenylethyl)benzamide
CID 14150746
4-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63184399
1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-dicarboxamide
CID 71413066
N-(2-hydroxy-1-phenylethyl)benzamide;hydrochloride
CID 175746997
3-chloro-4-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 103944456
2-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 3315693
1-(2-hydroxy-1-phenylethyl)-3-(3,4,5-trifluorophenyl)urea
CID 111458987

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trifluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide?
The IUPAC name of 3,4,5-trifluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide (CID 103772740) is 3,4,5-trifluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide.
What is the SMILES notation for 3,4,5-trifluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide?
The canonical SMILES for 3,4,5-trifluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide is O=C(N[C@@H](CO)c1ccccc1)c1cc(F)c(F)c(F)c1.
What is the InChIKey of 3,4,5-trifluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide?
The InChIKey is AUCRKFPJIHWCBW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H12F3NO2/c16-11-6-10(7-12(17)14(11)18)15(21)19-13(8-20)9-4-2-1-3-5-9/h1-7,13,20H,8H2,(H,19,21)/t13-/m0/s1.
What are the key properties of 3,4,5-trifluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide?
3,4,5-trifluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide has a molecular weight of 295.26 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trifluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide is sourced from PubChem (CID 103772740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).