3,5-bis(trifluoromethyl)-N-[2-(4-trimethylsilyloxyphenyl)ethyl]benzamide

C20H21F6NO2Si — CID 526021

IUPAC3,5-bis(trifluoromethyl)-N-[2-(4-trimethylsilyloxyphenyl)ethyl]benzamide
SMILESC[Si](C)(C)Oc1ccc(CCNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1
InChIInChI=1S/C20H21F6NO2Si/c1-30(2,3)29-17-6-4-13(5-7-17)8-9-27-18(28)14-10-15(19(21,22)23)12-16(11-14)20(24,25)26/h4-7,10-12H,8-9H2,1-3H3,(H,27,28)
InChIKeyTVDFVURRXDLERZ-UHFFFAOYSA-N
MW449.47 g/mol
LogP5.91
Rot. Bonds6

About 3,5-bis(trifluoromethyl)-N-[2-(4-trimethylsilyloxyphenyl)ethyl]benzamide

3,5-bis(trifluoromethyl)-N-[2-(4-trimethylsilyloxyphenyl)ethyl]benzamide (PubChem CID 526021) has the molecular formula C20H21F6NO2Si and a molecular weight of 449.47 g/mol. Its IUPAC name is 3,5-bis(trifluoromethyl)-N-[2-(4-trimethylsilyloxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3,5-bis(trifluoromethyl)-N-[2-(4-trimethylsilyloxyphenyl)ethyl]benzamide
PubChem CID526021
Molecular FormulaC20H21F6NO2Si
Molecular Weight449.47 g/mol
Exact Mass449.12
IUPAC Name3,5-bis(trifluoromethyl)-N-[2-(4-trimethylsilyloxyphenyl)ethyl]benzamide
SMILESC[Si](C)(C)Oc1ccc(CCNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1
InChIInChI=1S/C20H21F6NO2Si/c1-30(2,3)29-17-6-4-13(5-7-17)8-9-27-18(28)14-10-15(19(21,22)23)12-16(11-14)20(24,25)26/h4-7,10-12H,8-9H2,1-3H3,(H,27,28)
InChIKeyTVDFVURRXDLERZ-UHFFFAOYSA-N
XLogP5.91
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 ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]-3,5-bis(trifluoromethyl)benzamide
CID 528739
N-[2-(4-methoxyphenyl)ethyl]-4-(trifluoromethyl)benzamide
CID 2162417
4-(methoxymethyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 30843162
N-[2-(4-methoxyphenyl)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 30094922
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3,5-bis(trifluoromethyl)benzamide
CID 52764158
tert-butyl N-[2-[[3,5-bis(trifluoromethyl)benzoyl]amino]ethyl]carbamate
CID 52778261
4-(methylsulfamoyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 27774274
6-methoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide
CID 27006412
N-[2-(3-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 155530519
2-bromo-5-methoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 27774139
3-bromo-4-ethoxy-5-methoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 26732731
N-[2-(4-methoxyphenyl)ethyl]-1,2-oxazole-4-carboxamide
CID 154511562

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(trifluoromethyl)-N-[2-(4-trimethylsilyloxyphenyl)ethyl]benzamide?
The IUPAC name of 3,5-bis(trifluoromethyl)-N-[2-(4-trimethylsilyloxyphenyl)ethyl]benzamide (CID 526021) is 3,5-bis(trifluoromethyl)-N-[2-(4-trimethylsilyloxyphenyl)ethyl]benzamide.
What is the SMILES notation for 3,5-bis(trifluoromethyl)-N-[2-(4-trimethylsilyloxyphenyl)ethyl]benzamide?
The canonical SMILES for 3,5-bis(trifluoromethyl)-N-[2-(4-trimethylsilyloxyphenyl)ethyl]benzamide is C[Si](C)(C)Oc1ccc(CCNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1.
What is the InChIKey of 3,5-bis(trifluoromethyl)-N-[2-(4-trimethylsilyloxyphenyl)ethyl]benzamide?
The InChIKey is TVDFVURRXDLERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F6NO2Si/c1-30(2,3)29-17-6-4-13(5-7-17)8-9-27-18(28)14-10-15(19(21,22)23)12-16(11-14)20(24,25)26/h4-7,10-12H,8-9H2,1-3H3,(H,27,28).
What are the key properties of 3,5-bis(trifluoromethyl)-N-[2-(4-trimethylsilyloxyphenyl)ethyl]benzamide?
3,5-bis(trifluoromethyl)-N-[2-(4-trimethylsilyloxyphenyl)ethyl]benzamide has a molecular weight of 449.47 g/mol, XLogP of 5.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(trifluoromethyl)-N-[2-(4-trimethylsilyloxyphenyl)ethyl]benzamide is sourced from PubChem (CID 526021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).