N-(2-hydroxy-2-phenylpropyl)-3-(trifluoromethyl)benzamide

C17H16F3NO2 — CID 56765361

IUPACN-(2-hydroxy-2-phenylpropyl)-3-(trifluoromethyl)benzamide
SMILESCC(O)(CNC(=O)c1cccc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C17H16F3NO2/c1-16(23,13-7-3-2-4-8-13)11-21-15(22)12-6-5-9-14(10-12)17(18,19)20/h2-10,23H,11H2,1H3,(H,21,22)
InChIKeyPJPMKYUTMFJTGL-UHFFFAOYSA-N
MW323.31 g/mol
LogP3.34
Rot. Bonds4

About N-(2-hydroxy-2-phenylpropyl)-3-(trifluoromethyl)benzamide

N-(2-hydroxy-2-phenylpropyl)-3-(trifluoromethyl)benzamide (PubChem CID 56765361) has the molecular formula C17H16F3NO2 and a molecular weight of 323.31 g/mol. Its IUPAC name is N-(2-hydroxy-2-phenylpropyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-phenylpropyl)-3-(trifluoromethyl)benzamide
PubChem CID56765361
Molecular FormulaC17H16F3NO2
Molecular Weight323.31 g/mol
Exact Mass323.11
IUPAC NameN-(2-hydroxy-2-phenylpropyl)-3-(trifluoromethyl)benzamide
SMILESCC(O)(CNC(=O)c1cccc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C17H16F3NO2/c1-16(23,13-7-3-2-4-8-13)11-21-15(22)12-6-5-9-14(10-12)17(18,19)20/h2-10,23H,11H2,1H3,(H,21,22)
InChIKeyPJPMKYUTMFJTGL-UHFFFAOYSA-N
XLogP3.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-phenylpropyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(2-hydroxy-2-phenylpropyl)-3-(trifluoromethyl)benzamide (CID 56765361) is N-(2-hydroxy-2-phenylpropyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2-hydroxy-2-phenylpropyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(2-hydroxy-2-phenylpropyl)-3-(trifluoromethyl)benzamide is CC(O)(CNC(=O)c1cccc(C(F)(F)F)c1)c1ccccc1.
What is the InChIKey of N-(2-hydroxy-2-phenylpropyl)-3-(trifluoromethyl)benzamide?
The InChIKey is PJPMKYUTMFJTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO2/c1-16(23,13-7-3-2-4-8-13)11-21-15(22)12-6-5-9-14(10-12)17(18,19)20/h2-10,23H,11H2,1H3,(H,21,22).
What are the key properties of N-(2-hydroxy-2-phenylpropyl)-3-(trifluoromethyl)benzamide?
N-(2-hydroxy-2-phenylpropyl)-3-(trifluoromethyl)benzamide has a molecular weight of 323.31 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-phenylpropyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 56765361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).