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

C21H23F6NO2Si — CID 526019

IUPACN-methyl-N-(2-phenyl-2-trimethylsilyloxyethyl)-3,5-bis(trifluoromethyl)benzamide
SMILESCN(CC(O[Si](C)(C)C)c1ccccc1)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C21H23F6NO2Si/c1-28(13-18(30-31(2,3)4)14-8-6-5-7-9-14)19(29)15-10-16(20(22,23)24)12-17(11-15)21(25,26)27/h5-12,18H,13H2,1-4H3
InChIKeyCKJMVNRUFSZQOO-UHFFFAOYSA-N
MW463.49 g/mol
LogP6.39
Rot. Bonds6

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

N-methyl-N-(2-phenyl-2-trimethylsilyloxyethyl)-3,5-bis(trifluoromethyl)benzamide (PubChem CID 526019) has the molecular formula C21H23F6NO2Si and a molecular weight of 463.49 g/mol. Its IUPAC name is N-methyl-N-(2-phenyl-2-trimethylsilyloxyethyl)-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-methyl-N-(2-phenyl-2-trimethylsilyloxyethyl)-3,5-bis(trifluoromethyl)benzamide
PubChem CID526019
Molecular FormulaC21H23F6NO2Si
Molecular Weight463.49 g/mol
Exact Mass463.14
IUPAC NameN-methyl-N-(2-phenyl-2-trimethylsilyloxyethyl)-3,5-bis(trifluoromethyl)benzamide
SMILESCN(CC(O[Si](C)(C)C)c1ccccc1)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C21H23F6NO2Si/c1-28(13-18(30-31(2,3)4)14-8-6-5-7-9-14)19(29)15-10-16(20(22,23)24)12-17(11-15)21(25,26)27/h5-12,18H,13H2,1-4H3
InChIKeyCKJMVNRUFSZQOO-UHFFFAOYSA-N
XLogP6.39
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.49
LogP ≤ 56.39
H-Bond Donors ≤ 50
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-methyl-N-(2-phenyl-2-trimethylsilyloxyethyl)-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-methyl-N-(2-phenyl-2-trimethylsilyloxyethyl)-3,5-bis(trifluoromethyl)benzamide (CID 526019) is N-methyl-N-(2-phenyl-2-trimethylsilyloxyethyl)-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-methyl-N-(2-phenyl-2-trimethylsilyloxyethyl)-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-methyl-N-(2-phenyl-2-trimethylsilyloxyethyl)-3,5-bis(trifluoromethyl)benzamide is CN(CC(O[Si](C)(C)C)c1ccccc1)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-methyl-N-(2-phenyl-2-trimethylsilyloxyethyl)-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is CKJMVNRUFSZQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F6NO2Si/c1-28(13-18(30-31(2,3)4)14-8-6-5-7-9-14)19(29)15-10-16(20(22,23)24)12-17(11-15)21(25,26)27/h5-12,18H,13H2,1-4H3.
What are the key properties of N-methyl-N-(2-phenyl-2-trimethylsilyloxyethyl)-3,5-bis(trifluoromethyl)benzamide?
N-methyl-N-(2-phenyl-2-trimethylsilyloxyethyl)-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 463.49 g/mol, XLogP of 6.39, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-phenyl-2-trimethylsilyloxyethyl)-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 526019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).