5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4-chloro-2-methylbenzamide

C16H26ClNO3Si — CID 68604698

IUPAC5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4-chloro-2-methylbenzamide
SMILESCc1cc(Cl)c(OCCO[Si](C)(C)C(C)(C)C)cc1C(N)=O
InChIInChI=1S/C16H26ClNO3Si/c1-11-9-13(17)14(10-12(11)15(18)19)20-7-8-21-22(5,6)16(2,3)4/h9-10H,7-8H2,1-6H3,(H2,18,19)
InChIKeyTVPADFJFTSGFNX-UHFFFAOYSA-N
MW343.93 g/mol
LogP4.15
Rot. Bonds6

About 5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4-chloro-2-methylbenzamide

5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4-chloro-2-methylbenzamide (PubChem CID 68604698) has the molecular formula C16H26ClNO3Si and a molecular weight of 343.93 g/mol. Its IUPAC name is 5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4-chloro-2-methylbenzamide.

Molecular Properties

Compound Name5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4-chloro-2-methylbenzamide
PubChem CID68604698
Molecular FormulaC16H26ClNO3Si
Molecular Weight343.93 g/mol
Exact Mass343.14
IUPAC Name5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4-chloro-2-methylbenzamide
SMILESCc1cc(Cl)c(OCCO[Si](C)(C)C(C)(C)C)cc1C(N)=O
InChIInChI=1S/C16H26ClNO3Si/c1-11-9-13(17)14(10-12(11)15(18)19)20-7-8-21-22(5,6)16(2,3)4/h9-10H,7-8H2,1-6H3,(H2,18,19)
InChIKeyTVPADFJFTSGFNX-UHFFFAOYSA-N
XLogP4.15
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.93
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4-chloro-2-methylbenzamide?
The IUPAC name of 5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4-chloro-2-methylbenzamide (CID 68604698) is 5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4-chloro-2-methylbenzamide.
What is the SMILES notation for 5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4-chloro-2-methylbenzamide?
The canonical SMILES for 5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4-chloro-2-methylbenzamide is Cc1cc(Cl)c(OCCO[Si](C)(C)C(C)(C)C)cc1C(N)=O.
What is the InChIKey of 5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4-chloro-2-methylbenzamide?
The InChIKey is TVPADFJFTSGFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO3Si/c1-11-9-13(17)14(10-12(11)15(18)19)20-7-8-21-22(5,6)16(2,3)4/h9-10H,7-8H2,1-6H3,(H2,18,19).
What are the key properties of 5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4-chloro-2-methylbenzamide?
5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4-chloro-2-methylbenzamide has a molecular weight of 343.93 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4-chloro-2-methylbenzamide is sourced from PubChem (CID 68604698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).