2,3-bis(2-chloroethyl)-6-trimethylsilylbenzamide

C14H21Cl2NOSi — CID 57263728

IUPAC2,3-bis(2-chloroethyl)-6-trimethylsilylbenzamide
SMILESC[Si](C)(C)c1ccc(CCCl)c(CCCl)c1C(N)=O
InChIInChI=1S/C14H21Cl2NOSi/c1-19(2,3)12-5-4-10(6-8-15)11(7-9-16)13(12)14(17)18/h4-5H,6-9H2,1-3H3,(H2,17,18)
InChIKeyJLEKTHSAUFTHPM-UHFFFAOYSA-N
MW318.32 g/mol
LogP2.89
Rot. Bonds6

About 2,3-bis(2-chloroethyl)-6-trimethylsilylbenzamide

2,3-bis(2-chloroethyl)-6-trimethylsilylbenzamide (PubChem CID 57263728) has the molecular formula C14H21Cl2NOSi and a molecular weight of 318.32 g/mol. Its IUPAC name is 2,3-bis(2-chloroethyl)-6-trimethylsilylbenzamide.

Molecular Properties

Compound Name2,3-bis(2-chloroethyl)-6-trimethylsilylbenzamide
PubChem CID57263728
Molecular FormulaC14H21Cl2NOSi
Molecular Weight318.32 g/mol
Exact Mass317.08
IUPAC Name2,3-bis(2-chloroethyl)-6-trimethylsilylbenzamide
SMILESC[Si](C)(C)c1ccc(CCCl)c(CCCl)c1C(N)=O
InChIInChI=1S/C14H21Cl2NOSi/c1-19(2,3)12-5-4-10(6-8-15)11(7-9-16)13(12)14(17)18/h4-5H,6-9H2,1-3H3,(H2,17,18)
InChIKeyJLEKTHSAUFTHPM-UHFFFAOYSA-N
XLogP2.89
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 52.89
H-Bond Donors ≤ 51
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 2,3-bis(2-chloroethyl)-6-trimethylsilylbenzamide?
The IUPAC name of 2,3-bis(2-chloroethyl)-6-trimethylsilylbenzamide (CID 57263728) is 2,3-bis(2-chloroethyl)-6-trimethylsilylbenzamide.
What is the SMILES notation for 2,3-bis(2-chloroethyl)-6-trimethylsilylbenzamide?
The canonical SMILES for 2,3-bis(2-chloroethyl)-6-trimethylsilylbenzamide is C[Si](C)(C)c1ccc(CCCl)c(CCCl)c1C(N)=O.
What is the InChIKey of 2,3-bis(2-chloroethyl)-6-trimethylsilylbenzamide?
The InChIKey is JLEKTHSAUFTHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2NOSi/c1-19(2,3)12-5-4-10(6-8-15)11(7-9-16)13(12)14(17)18/h4-5H,6-9H2,1-3H3,(H2,17,18).
What are the key properties of 2,3-bis(2-chloroethyl)-6-trimethylsilylbenzamide?
2,3-bis(2-chloroethyl)-6-trimethylsilylbenzamide has a molecular weight of 318.32 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(2-chloroethyl)-6-trimethylsilylbenzamide is sourced from PubChem (CID 57263728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).