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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,2-dicyclopropyl-7-methyl-1-oxoisoquinoline-3-carboxamide
CID 172891613
1,6-dimethyl-N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]indole-2-carboxamide
CID 126429000
N-(1,1-dimethylsilinan-4-yl)-4,5-difluoro-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 156715366
N-cyclopropyl-1,4-dimethylindole-2-carboxamide
CID 110847973
4-chloro-N-(1,1-dimethylsilinan-4-yl)-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 156715187
1-methyl-N-piperidin-4-ylindole-2-carboxamide
CID 110468893
6-(2-bromo-4-methylanilino)-N-cyclopentyl-2-methylpyrimidine-4-carboxamide
CID 109363399
N-(2-aminoethyl)-1,6-dimethylindole-2-carboxamide
CID 110833567
2-bromo-5-methyl-N-(1-oxothian-4-yl)benzamide
CID 104580819
N-tert-butyl-1,6-dimethylindole-2-carboxamide
CID 110855330
N-cyclohexyl-2,5-dimethylbenzamide
CID 925443
N-cycloheptyl-7-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 40723824

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).