N-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]-2,6-difluorobenzamide

C21H27F2NO2Si — CID 139253362

IUPACN-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]-2,6-difluorobenzamide
SMILESCC(C)(C)[Si](C)(C)OC(CNC(=O)c1c(F)cccc1F)c1ccccc1
InChIInChI=1S/C21H27F2NO2Si/c1-21(2,3)27(4,5)26-18(15-10-7-6-8-11-15)14-24-20(25)19-16(22)12-9-13-17(19)23/h6-13,18H,14H2,1-5H3,(H,24,25)
InChIKeyJSTHAAWHGXTIBI-UHFFFAOYSA-N
MW391.53 g/mol
LogP5.46
Rot. Bonds6

About N-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]-2,6-difluorobenzamide

N-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]-2,6-difluorobenzamide (PubChem CID 139253362) has the molecular formula C21H27F2NO2Si and a molecular weight of 391.53 g/mol. Its IUPAC name is N-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]-2,6-difluorobenzamide
PubChem CID139253362
Molecular FormulaC21H27F2NO2Si
Molecular Weight391.53 g/mol
Exact Mass391.18
IUPAC NameN-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]-2,6-difluorobenzamide
SMILESCC(C)(C)[Si](C)(C)OC(CNC(=O)c1c(F)cccc1F)c1ccccc1
InChIInChI=1S/C21H27F2NO2Si/c1-21(2,3)27(4,5)26-18(15-10-7-6-8-11-15)14-24-20(25)19-16(22)12-9-13-17(19)23/h6-13,18H,14H2,1-5H3,(H,24,25)
InChIKeyJSTHAAWHGXTIBI-UHFFFAOYSA-N
XLogP5.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.53
LogP ≤ 55.46
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-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]-2,6-difluorobenzamide?
The IUPAC name of N-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]-2,6-difluorobenzamide (CID 139253362) is N-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]-2,6-difluorobenzamide is CC(C)(C)[Si](C)(C)OC(CNC(=O)c1c(F)cccc1F)c1ccccc1.
What is the InChIKey of N-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]-2,6-difluorobenzamide?
The InChIKey is JSTHAAWHGXTIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27F2NO2Si/c1-21(2,3)27(4,5)26-18(15-10-7-6-8-11-15)14-24-20(25)19-16(22)12-9-13-17(19)23/h6-13,18H,14H2,1-5H3,(H,24,25).
What are the key properties of N-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]-2,6-difluorobenzamide?
N-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]-2,6-difluorobenzamide has a molecular weight of 391.53 g/mol, XLogP of 5.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]-2,6-difluorobenzamide is sourced from PubChem (CID 139253362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).