N-benzyl-2-[ditert-butyl(fluoro)silyl]acetamide

C17H28FNOSi — CID 72704094

IUPACN-benzyl-2-[ditert-butyl(fluoro)silyl]acetamide
SMILESCC(C)(C)[Si](F)(CC(=O)NCc1ccccc1)C(C)(C)C
InChIInChI=1S/C17H28FNOSi/c1-16(2,3)21(18,17(4,5)6)13-15(20)19-12-14-10-8-7-9-11-14/h7-11H,12-13H2,1-6H3,(H,19,20)
InChIKeyJPUFTHKHPUKQAG-UHFFFAOYSA-N
MW309.50 g/mol
LogP4.82
Rot. Bonds4

About N-benzyl-2-[ditert-butyl(fluoro)silyl]acetamide

N-benzyl-2-[ditert-butyl(fluoro)silyl]acetamide (PubChem CID 72704094) has the molecular formula C17H28FNOSi and a molecular weight of 309.50 g/mol. Its IUPAC name is N-benzyl-2-[ditert-butyl(fluoro)silyl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[ditert-butyl(fluoro)silyl]acetamide
PubChem CID72704094
Molecular FormulaC17H28FNOSi
Molecular Weight309.50 g/mol
Exact Mass309.19
IUPAC NameN-benzyl-2-[ditert-butyl(fluoro)silyl]acetamide
SMILESCC(C)(C)[Si](F)(CC(=O)NCc1ccccc1)C(C)(C)C
InChIInChI=1S/C17H28FNOSi/c1-16(2,3)21(18,17(4,5)6)13-15(20)19-12-14-10-8-7-9-11-14/h7-11H,12-13H2,1-6H3,(H,19,20)
InChIKeyJPUFTHKHPUKQAG-UHFFFAOYSA-N
XLogP4.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.50
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[ditert-butyl(fluoro)silyl]acetamide?
The IUPAC name of N-benzyl-2-[ditert-butyl(fluoro)silyl]acetamide (CID 72704094) is N-benzyl-2-[ditert-butyl(fluoro)silyl]acetamide.
What is the SMILES notation for N-benzyl-2-[ditert-butyl(fluoro)silyl]acetamide?
The canonical SMILES for N-benzyl-2-[ditert-butyl(fluoro)silyl]acetamide is CC(C)(C)[Si](F)(CC(=O)NCc1ccccc1)C(C)(C)C.
What is the InChIKey of N-benzyl-2-[ditert-butyl(fluoro)silyl]acetamide?
The InChIKey is JPUFTHKHPUKQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FNOSi/c1-16(2,3)21(18,17(4,5)6)13-15(20)19-12-14-10-8-7-9-11-14/h7-11H,12-13H2,1-6H3,(H,19,20).
What are the key properties of N-benzyl-2-[ditert-butyl(fluoro)silyl]acetamide?
N-benzyl-2-[ditert-butyl(fluoro)silyl]acetamide has a molecular weight of 309.50 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[ditert-butyl(fluoro)silyl]acetamide is sourced from PubChem (CID 72704094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).