4-bromo-5-fluoro-2-methyl-1-(2-trimethylsilylethoxymethyl)indole-7-carboxamide

C16H22BrFN2O2Si — CID 170781316

IUPAC4-bromo-5-fluoro-2-methyl-1-(2-trimethylsilylethoxymethyl)indole-7-carboxamide
SMILESCc1cc2c(Br)c(F)cc(C(N)=O)c2n1COCC[Si](C)(C)C
InChIInChI=1S/C16H22BrFN2O2Si/c1-10-7-11-14(17)13(18)8-12(16(19)21)15(11)20(10)9-22-5-6-23(2,3)4/h7-8H,5-6,9H2,1-4H3,(H2,19,21)
InChIKeyFDNXSSYTDWCBPI-UHFFFAOYSA-N
MW401.35 g/mol
LogP4.26
Rot. Bonds6

About 4-bromo-5-fluoro-2-methyl-1-(2-trimethylsilylethoxymethyl)indole-7-carboxamide

4-bromo-5-fluoro-2-methyl-1-(2-trimethylsilylethoxymethyl)indole-7-carboxamide (PubChem CID 170781316) has the molecular formula C16H22BrFN2O2Si and a molecular weight of 401.35 g/mol. Its IUPAC name is 4-bromo-5-fluoro-2-methyl-1-(2-trimethylsilylethoxymethyl)indole-7-carboxamide.

Molecular Properties

Compound Name4-bromo-5-fluoro-2-methyl-1-(2-trimethylsilylethoxymethyl)indole-7-carboxamide
PubChem CID170781316
Molecular FormulaC16H22BrFN2O2Si
Molecular Weight401.35 g/mol
Exact Mass400.06
IUPAC Name4-bromo-5-fluoro-2-methyl-1-(2-trimethylsilylethoxymethyl)indole-7-carboxamide
SMILESCc1cc2c(Br)c(F)cc(C(N)=O)c2n1COCC[Si](C)(C)C
InChIInChI=1S/C16H22BrFN2O2Si/c1-10-7-11-14(17)13(18)8-12(16(19)21)15(11)20(10)9-22-5-6-23(2,3)4/h7-8H,5-6,9H2,1-4H3,(H2,19,21)
InChIKeyFDNXSSYTDWCBPI-UHFFFAOYSA-N
XLogP4.26
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.35
LogP ≤ 54.26
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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Related Compounds

ethyl 2-chloro-6,7-difluoro-3-(2-trimethylsilylethoxymethyl)benzimidazole-4-carboxylate
CID 145190736
3,5-dichloro-1-(2-trimethylsilylethoxymethyl)pyrrole-2-carboxamide
CID 86688715
ethyl 3-bromo-4-(2-trimethylsilylethoxymethyl)furo[3,2-b]pyrrole-5-carboxylate
CID 178180599
4-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide
CID 140827014
2-(3,4-difluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide
CID 165391916
8-bromo-6-fluoro-4-(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]benzimidazole-3-carboxylic acid
CID 140769932
6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxamide
CID 69023043
2-[(4-chloro-6-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane
CID 77230728
methyl 5-bromo-2-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate
CID 153484145
4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxamide
CID 71258387
ethyl 5-bromo-7-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridine-2-carboxylate
CID 169003747
5-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid
CID 131747900

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-fluoro-2-methyl-1-(2-trimethylsilylethoxymethyl)indole-7-carboxamide?
The IUPAC name of 4-bromo-5-fluoro-2-methyl-1-(2-trimethylsilylethoxymethyl)indole-7-carboxamide (CID 170781316) is 4-bromo-5-fluoro-2-methyl-1-(2-trimethylsilylethoxymethyl)indole-7-carboxamide.
What is the SMILES notation for 4-bromo-5-fluoro-2-methyl-1-(2-trimethylsilylethoxymethyl)indole-7-carboxamide?
The canonical SMILES for 4-bromo-5-fluoro-2-methyl-1-(2-trimethylsilylethoxymethyl)indole-7-carboxamide is Cc1cc2c(Br)c(F)cc(C(N)=O)c2n1COCC[Si](C)(C)C.
What is the InChIKey of 4-bromo-5-fluoro-2-methyl-1-(2-trimethylsilylethoxymethyl)indole-7-carboxamide?
The InChIKey is FDNXSSYTDWCBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrFN2O2Si/c1-10-7-11-14(17)13(18)8-12(16(19)21)15(11)20(10)9-22-5-6-23(2,3)4/h7-8H,5-6,9H2,1-4H3,(H2,19,21).
What are the key properties of 4-bromo-5-fluoro-2-methyl-1-(2-trimethylsilylethoxymethyl)indole-7-carboxamide?
4-bromo-5-fluoro-2-methyl-1-(2-trimethylsilylethoxymethyl)indole-7-carboxamide has a molecular weight of 401.35 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-fluoro-2-methyl-1-(2-trimethylsilylethoxymethyl)indole-7-carboxamide is sourced from PubChem (CID 170781316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).