N-(2-phenyl-2-trimethylsilyloxyethyl)-3,5-bis(trifluoromethyl)benzamide

C20H21F6NO2Si — CID 526018

IUPACN-(2-phenyl-2-trimethylsilyloxyethyl)-3,5-bis(trifluoromethyl)benzamide
SMILESC[Si](C)(C)OC(CNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C20H21F6NO2Si/c1-30(2,3)29-17(13-7-5-4-6-8-13)12-27-18(28)14-9-15(19(21,22)23)11-16(10-14)20(24,25)26/h4-11,17H,12H2,1-3H3,(H,27,28)
InChIKeyLKXNJZGLXIYALL-UHFFFAOYSA-N
MW449.47 g/mol
LogP6.05
Rot. Bonds6

About N-(2-phenyl-2-trimethylsilyloxyethyl)-3,5-bis(trifluoromethyl)benzamide

N-(2-phenyl-2-trimethylsilyloxyethyl)-3,5-bis(trifluoromethyl)benzamide (PubChem CID 526018) has the molecular formula C20H21F6NO2Si and a molecular weight of 449.47 g/mol. Its IUPAC name is N-(2-phenyl-2-trimethylsilyloxyethyl)-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2-phenyl-2-trimethylsilyloxyethyl)-3,5-bis(trifluoromethyl)benzamide
PubChem CID526018
Molecular FormulaC20H21F6NO2Si
Molecular Weight449.47 g/mol
Exact Mass449.12
IUPAC NameN-(2-phenyl-2-trimethylsilyloxyethyl)-3,5-bis(trifluoromethyl)benzamide
SMILESC[Si](C)(C)OC(CNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C20H21F6NO2Si/c1-30(2,3)29-17(13-7-5-4-6-8-13)12-27-18(28)14-9-15(19(21,22)23)11-16(10-14)20(24,25)26/h4-11,17H,12H2,1-3H3,(H,27,28)
InChIKeyLKXNJZGLXIYALL-UHFFFAOYSA-N
XLogP6.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.47
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenyl-2-trimethylsilyloxyethyl)-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-(2-phenyl-2-trimethylsilyloxyethyl)-3,5-bis(trifluoromethyl)benzamide (CID 526018) is N-(2-phenyl-2-trimethylsilyloxyethyl)-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2-phenyl-2-trimethylsilyloxyethyl)-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-(2-phenyl-2-trimethylsilyloxyethyl)-3,5-bis(trifluoromethyl)benzamide is C[Si](C)(C)OC(CNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1.
What is the InChIKey of N-(2-phenyl-2-trimethylsilyloxyethyl)-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is LKXNJZGLXIYALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F6NO2Si/c1-30(2,3)29-17(13-7-5-4-6-8-13)12-27-18(28)14-9-15(19(21,22)23)11-16(10-14)20(24,25)26/h4-11,17H,12H2,1-3H3,(H,27,28).
What are the key properties of N-(2-phenyl-2-trimethylsilyloxyethyl)-3,5-bis(trifluoromethyl)benzamide?
N-(2-phenyl-2-trimethylsilyloxyethyl)-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 449.47 g/mol, XLogP of 6.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenyl-2-trimethylsilyloxyethyl)-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 526018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).