1-bromo-N-(1,1-dimethylsilinan-4-yl)-6-methylindole-2-carboxamide

C17H23BrN2OSi — CID 175771292

IUPAC1-bromo-N-(1,1-dimethylsilinan-4-yl)-6-methylindole-2-carboxamide
SMILESCc1ccc2cc(C(=O)NC3CC[Si](C)(C)CC3)n(Br)c2c1
InChIInChI=1S/C17H23BrN2OSi/c1-12-4-5-13-11-16(20(18)15(13)10-12)17(21)19-14-6-8-22(2,3)9-7-14/h4-5,10-11,14H,6-9H2,1-3H3,(H,19,21)
InChIKeyDHBYBAICYLNWSU-UHFFFAOYSA-N
MW379.37 g/mol
LogP4.71
Rot. Bonds2

About 1-bromo-N-(1,1-dimethylsilinan-4-yl)-6-methylindole-2-carboxamide

1-bromo-N-(1,1-dimethylsilinan-4-yl)-6-methylindole-2-carboxamide (PubChem CID 175771292) has the molecular formula C17H23BrN2OSi and a molecular weight of 379.37 g/mol. Its IUPAC name is 1-bromo-N-(1,1-dimethylsilinan-4-yl)-6-methylindole-2-carboxamide.

Molecular Properties

Compound Name1-bromo-N-(1,1-dimethylsilinan-4-yl)-6-methylindole-2-carboxamide
PubChem CID175771292
Molecular FormulaC17H23BrN2OSi
Molecular Weight379.37 g/mol
Exact Mass378.08
IUPAC Name1-bromo-N-(1,1-dimethylsilinan-4-yl)-6-methylindole-2-carboxamide
SMILESCc1ccc2cc(C(=O)NC3CC[Si](C)(C)CC3)n(Br)c2c1
InChIInChI=1S/C17H23BrN2OSi/c1-12-4-5-13-11-16(20(18)15(13)10-12)17(21)19-14-6-8-22(2,3)9-7-14/h4-5,10-11,14H,6-9H2,1-3H3,(H,19,21)
InChIKeyDHBYBAICYLNWSU-UHFFFAOYSA-N
XLogP4.71
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 54.71
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 1-bromo-N-(1,1-dimethylsilinan-4-yl)-6-methylindole-2-carboxamide?
The IUPAC name of 1-bromo-N-(1,1-dimethylsilinan-4-yl)-6-methylindole-2-carboxamide (CID 175771292) is 1-bromo-N-(1,1-dimethylsilinan-4-yl)-6-methylindole-2-carboxamide.
What is the SMILES notation for 1-bromo-N-(1,1-dimethylsilinan-4-yl)-6-methylindole-2-carboxamide?
The canonical SMILES for 1-bromo-N-(1,1-dimethylsilinan-4-yl)-6-methylindole-2-carboxamide is Cc1ccc2cc(C(=O)NC3CC[Si](C)(C)CC3)n(Br)c2c1.
What is the InChIKey of 1-bromo-N-(1,1-dimethylsilinan-4-yl)-6-methylindole-2-carboxamide?
The InChIKey is DHBYBAICYLNWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2OSi/c1-12-4-5-13-11-16(20(18)15(13)10-12)17(21)19-14-6-8-22(2,3)9-7-14/h4-5,10-11,14H,6-9H2,1-3H3,(H,19,21).
What are the key properties of 1-bromo-N-(1,1-dimethylsilinan-4-yl)-6-methylindole-2-carboxamide?
1-bromo-N-(1,1-dimethylsilinan-4-yl)-6-methylindole-2-carboxamide has a molecular weight of 379.37 g/mol, XLogP of 4.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-(1,1-dimethylsilinan-4-yl)-6-methylindole-2-carboxamide is sourced from PubChem (CID 175771292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).