N-[chloromethyl(diphenyl)silyl]-N-methylacetamide

C16H18ClNOSi — CID 133064003

IUPACN-[chloromethyl(diphenyl)silyl]-N-methylacetamide
SMILESCC(=O)N(C)[Si](CCl)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H18ClNOSi/c1-14(19)18(2)20(13-17,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12H,13H2,1-2H3
InChIKeyFRIASTCNJYASMY-UHFFFAOYSA-N
MW303.87 g/mol
LogP2.00
Rot. Bonds4

About N-[chloromethyl(diphenyl)silyl]-N-methylacetamide

N-[chloromethyl(diphenyl)silyl]-N-methylacetamide (PubChem CID 133064003) has the molecular formula C16H18ClNOSi and a molecular weight of 303.87 g/mol. Its IUPAC name is N-[chloromethyl(diphenyl)silyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[chloromethyl(diphenyl)silyl]-N-methylacetamide
PubChem CID133064003
Molecular FormulaC16H18ClNOSi
Molecular Weight303.87 g/mol
Exact Mass303.08
IUPAC NameN-[chloromethyl(diphenyl)silyl]-N-methylacetamide
SMILESCC(=O)N(C)[Si](CCl)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H18ClNOSi/c1-14(19)18(2)20(13-17,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12H,13H2,1-2H3
InChIKeyFRIASTCNJYASMY-UHFFFAOYSA-N
XLogP2.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.87
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[chloromethyl(diphenyl)silyl]-N-methylacetamide?
The IUPAC name of N-[chloromethyl(diphenyl)silyl]-N-methylacetamide (CID 133064003) is N-[chloromethyl(diphenyl)silyl]-N-methylacetamide.
What is the SMILES notation for N-[chloromethyl(diphenyl)silyl]-N-methylacetamide?
The canonical SMILES for N-[chloromethyl(diphenyl)silyl]-N-methylacetamide is CC(=O)N(C)[Si](CCl)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[chloromethyl(diphenyl)silyl]-N-methylacetamide?
The InChIKey is FRIASTCNJYASMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNOSi/c1-14(19)18(2)20(13-17,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12H,13H2,1-2H3.
What are the key properties of N-[chloromethyl(diphenyl)silyl]-N-methylacetamide?
N-[chloromethyl(diphenyl)silyl]-N-methylacetamide has a molecular weight of 303.87 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[chloromethyl(diphenyl)silyl]-N-methylacetamide is sourced from PubChem (CID 133064003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).