N-ethyl-6-trimethylsilyl-1-benzofuran-7-carboxamide

C14H19NO2Si — CID 22071496

IUPACN-ethyl-6-trimethylsilyl-1-benzofuran-7-carboxamide
SMILESCCNC(=O)c1c([Si](C)(C)C)ccc2ccoc12
InChIInChI=1S/C14H19NO2Si/c1-5-15-14(16)12-11(18(2,3)4)7-6-10-8-9-17-13(10)12/h6-9H,5H2,1-4H3,(H,15,16)
InChIKeyCHRGSEUHDDNMNR-UHFFFAOYSA-N
MW261.40 g/mol
LogP2.73
Rot. Bonds3

About N-ethyl-6-trimethylsilyl-1-benzofuran-7-carboxamide

N-ethyl-6-trimethylsilyl-1-benzofuran-7-carboxamide (PubChem CID 22071496) has the molecular formula C14H19NO2Si and a molecular weight of 261.40 g/mol. Its IUPAC name is N-ethyl-6-trimethylsilyl-1-benzofuran-7-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-trimethylsilyl-1-benzofuran-7-carboxamide
PubChem CID22071496
Molecular FormulaC14H19NO2Si
Molecular Weight261.40 g/mol
Exact Mass261.12
IUPAC NameN-ethyl-6-trimethylsilyl-1-benzofuran-7-carboxamide
SMILESCCNC(=O)c1c([Si](C)(C)C)ccc2ccoc12
InChIInChI=1S/C14H19NO2Si/c1-5-15-14(16)12-11(18(2,3)4)7-6-10-8-9-17-13(10)12/h6-9H,5H2,1-4H3,(H,15,16)
InChIKeyCHRGSEUHDDNMNR-UHFFFAOYSA-N
XLogP2.73
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.40
LogP ≤ 52.73
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-ethyl-6-trimethylsilyl-1-benzofuran-7-carboxamide?
The IUPAC name of N-ethyl-6-trimethylsilyl-1-benzofuran-7-carboxamide (CID 22071496) is N-ethyl-6-trimethylsilyl-1-benzofuran-7-carboxamide.
What is the SMILES notation for N-ethyl-6-trimethylsilyl-1-benzofuran-7-carboxamide?
The canonical SMILES for N-ethyl-6-trimethylsilyl-1-benzofuran-7-carboxamide is CCNC(=O)c1c([Si](C)(C)C)ccc2ccoc12.
What is the InChIKey of N-ethyl-6-trimethylsilyl-1-benzofuran-7-carboxamide?
The InChIKey is CHRGSEUHDDNMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2Si/c1-5-15-14(16)12-11(18(2,3)4)7-6-10-8-9-17-13(10)12/h6-9H,5H2,1-4H3,(H,15,16).
What are the key properties of N-ethyl-6-trimethylsilyl-1-benzofuran-7-carboxamide?
N-ethyl-6-trimethylsilyl-1-benzofuran-7-carboxamide has a molecular weight of 261.40 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-trimethylsilyl-1-benzofuran-7-carboxamide is sourced from PubChem (CID 22071496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).