4,6-difluoro-N-(5-silaspiro[4.5]decan-8-yl)-1H-indole-2-carboxamide

C18H22F2N2OSi — CID 163201818

IUPAC4,6-difluoro-N-(5-silaspiro[4.5]decan-8-yl)-1H-indole-2-carboxamide
SMILESO=C(NC1CC[Si]2(CCCC2)CC1)c1cc2c(F)cc(F)cc2[nH]1
InChIInChI=1S/C18H22F2N2OSi/c19-12-9-15(20)14-11-17(22-16(14)10-12)18(23)21-13-3-7-24(8-4-13)5-1-2-6-24/h9-11,13,22H,1-8H2,(H,21,23)
InChIKeyLZUQJWBQLCGDEJ-UHFFFAOYSA-N
MW348.47 g/mol
LogP4.58
Rot. Bonds2

About 4,6-difluoro-N-(5-silaspiro[4.5]decan-8-yl)-1H-indole-2-carboxamide

4,6-difluoro-N-(5-silaspiro[4.5]decan-8-yl)-1H-indole-2-carboxamide (PubChem CID 163201818) has the molecular formula C18H22F2N2OSi and a molecular weight of 348.47 g/mol. Its IUPAC name is 4,6-difluoro-N-(5-silaspiro[4.5]decan-8-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4,6-difluoro-N-(5-silaspiro[4.5]decan-8-yl)-1H-indole-2-carboxamide
PubChem CID163201818
Molecular FormulaC18H22F2N2OSi
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC Name4,6-difluoro-N-(5-silaspiro[4.5]decan-8-yl)-1H-indole-2-carboxamide
SMILESO=C(NC1CC[Si]2(CCCC2)CC1)c1cc2c(F)cc(F)cc2[nH]1
InChIInChI=1S/C18H22F2N2OSi/c19-12-9-15(20)14-11-17(22-16(14)10-12)18(23)21-13-3-7-24(8-4-13)5-1-2-6-24/h9-11,13,22H,1-8H2,(H,21,23)
InChIKeyLZUQJWBQLCGDEJ-UHFFFAOYSA-N
XLogP4.58
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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 4,6-difluoro-N-(5-silaspiro[4.5]decan-8-yl)-1H-indole-2-carboxamide?
The IUPAC name of 4,6-difluoro-N-(5-silaspiro[4.5]decan-8-yl)-1H-indole-2-carboxamide (CID 163201818) is 4,6-difluoro-N-(5-silaspiro[4.5]decan-8-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for 4,6-difluoro-N-(5-silaspiro[4.5]decan-8-yl)-1H-indole-2-carboxamide?
The canonical SMILES for 4,6-difluoro-N-(5-silaspiro[4.5]decan-8-yl)-1H-indole-2-carboxamide is O=C(NC1CC[Si]2(CCCC2)CC1)c1cc2c(F)cc(F)cc2[nH]1.
What is the InChIKey of 4,6-difluoro-N-(5-silaspiro[4.5]decan-8-yl)-1H-indole-2-carboxamide?
The InChIKey is LZUQJWBQLCGDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N2OSi/c19-12-9-15(20)14-11-17(22-16(14)10-12)18(23)21-13-3-7-24(8-4-13)5-1-2-6-24/h9-11,13,22H,1-8H2,(H,21,23).
What are the key properties of 4,6-difluoro-N-(5-silaspiro[4.5]decan-8-yl)-1H-indole-2-carboxamide?
4,6-difluoro-N-(5-silaspiro[4.5]decan-8-yl)-1H-indole-2-carboxamide has a molecular weight of 348.47 g/mol, XLogP of 4.58, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-N-(5-silaspiro[4.5]decan-8-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 163201818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).