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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Related Compounds

N-[2-[tert-butyl(dimethyl)silyl]oxy-2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]-N-methyl-3,5-bis(trifluoromethyl)benzamide
CID 91752124
4-[[3,5-bis(trifluoromethyl)benzoyl]-methylamino]-5,5-diphenylpentanoic acid
CID 21310523
N-(1,1-diphenylpent-3-en-2-yl)-N-methyl-3,5-bis(trifluoromethyl)benzamide
CID 140983162
N-[(2S)-2-(3,4-dichlorophenyl)pent-4-enyl]-N-methyl-3,5-bis(trifluoromethyl)benzamide
CID 56976945
[2-(dimethylamino)-2-oxo-1-phenylethyl] 3,5-bis(trifluoromethyl)benzoate
CID 55391917
N-[(2S)-2-hydroxy-2-phenylethyl]-N-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole-5-carboxamide
CID 42384410
N-(3-amino-4-methylpentyl)-N-methyl-3,5-bis(trifluoromethyl)benzamide
CID 119659005
N-[(2S)-4-amino-4-oxo-1-phenylbutan-2-yl]-N-propyl-3,5-bis(trifluoromethyl)benzamide
CID 87472590
N-[(2S)-2-(3,4-dichlorophenyl)-4-[4-(2-ethylphenyl)piperazin-1-yl]butyl]-N-methyl-3,5-bis(trifluoromethyl)benzamide
CID 152909076
N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-(4-fluorophenyl)propyl]-N-methylpyridine-4-carboxamide
CID 87305174
(2S)-2-(4-fluorophenyl)-N-methylpent-4-en-1-amine;N-[(2S)-2-(4-fluorophenyl)pent-4-enyl]-N-methyl-3,5-bis(trifluoromethyl)benzamide
CID 161114173
3-[3,5-bis(trifluoromethyl)phenyl]-3-phenylpropanoic acid
CID 132543215

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).