trimethylsilyl 8-[(2-fluorobenzoyl)amino]octanoate

C18H28FNO3Si — CID 10760551

IUPACtrimethylsilyl 8-[(2-fluorobenzoyl)amino]octanoate
SMILESC[Si](C)(C)OC(=O)CCCCCCCNC(=O)c1ccccc1F
InChIInChI=1S/C18H28FNO3Si/c1-24(2,3)23-17(21)13-7-5-4-6-10-14-20-18(22)15-11-8-9-12-16(15)19/h8-9,11-12H,4-7,10,13-14H2,1-3H3,(H,20,22)
InChIKeyJAGISNDYZALXDQ-UHFFFAOYSA-N
MW353.51 g/mol
LogP4.27
Rot. Bonds10

About trimethylsilyl 8-[(2-fluorobenzoyl)amino]octanoate

trimethylsilyl 8-[(2-fluorobenzoyl)amino]octanoate (PubChem CID 10760551) has the molecular formula C18H28FNO3Si and a molecular weight of 353.51 g/mol. Its IUPAC name is trimethylsilyl 8-[(2-fluorobenzoyl)amino]octanoate.

Molecular Properties

Compound Nametrimethylsilyl 8-[(2-fluorobenzoyl)amino]octanoate
PubChem CID10760551
Molecular FormulaC18H28FNO3Si
Molecular Weight353.51 g/mol
Exact Mass353.18
IUPAC Nametrimethylsilyl 8-[(2-fluorobenzoyl)amino]octanoate
SMILESC[Si](C)(C)OC(=O)CCCCCCCNC(=O)c1ccccc1F
InChIInChI=1S/C18H28FNO3Si/c1-24(2,3)23-17(21)13-7-5-4-6-10-14-20-18(22)15-11-8-9-12-16(15)19/h8-9,11-12H,4-7,10,13-14H2,1-3H3,(H,20,22)
InChIKeyJAGISNDYZALXDQ-UHFFFAOYSA-N
XLogP4.27
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 54.27
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

trimethylsilyl 10-benzamidodecanoate
CID 10808726
trimethylsilyl 4-[(2-methylbenzoyl)amino]butanoate
CID 10780080
methyl 4-[(2-fluorobenzoyl)amino]butanoate
CID 60645325
8-[(2-fluorobenzoyl)amino]octanoic acid;molecular hydrogen
CID 157344175
trimethylsilyl 4-benzamidobutanoate
CID 10802651
2-fluoro-N-(5-methylsulfanylpentyl)benzamide
CID 104920148
(2,3,5,6-tetrafluorophenyl) 8-[(2-hydroxybenzoyl)amino]octanoate
CID 170630566
2-fluoro-N-(4-methylpentyl)benzamide
CID 60738338
bis[3-[(2-fluorobenzoyl)amino]propyl]-methylazanium
CID 2203617
2-fluoro-N-(4-phenylbutyl)benzamide
CID 2057513
2-fluoro-N-(5,5,5-trifluoropentyl)benzamide
CID 113322083
methyl 6-[(2-methylsulfanylpyridine-3-carbonyl)amino]hexanoate
CID 31839789

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 8-[(2-fluorobenzoyl)amino]octanoate?
The IUPAC name of trimethylsilyl 8-[(2-fluorobenzoyl)amino]octanoate (CID 10760551) is trimethylsilyl 8-[(2-fluorobenzoyl)amino]octanoate.
What is the SMILES notation for trimethylsilyl 8-[(2-fluorobenzoyl)amino]octanoate?
The canonical SMILES for trimethylsilyl 8-[(2-fluorobenzoyl)amino]octanoate is C[Si](C)(C)OC(=O)CCCCCCCNC(=O)c1ccccc1F.
What is the InChIKey of trimethylsilyl 8-[(2-fluorobenzoyl)amino]octanoate?
The InChIKey is JAGISNDYZALXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FNO3Si/c1-24(2,3)23-17(21)13-7-5-4-6-10-14-20-18(22)15-11-8-9-12-16(15)19/h8-9,11-12H,4-7,10,13-14H2,1-3H3,(H,20,22).
What are the key properties of trimethylsilyl 8-[(2-fluorobenzoyl)amino]octanoate?
trimethylsilyl 8-[(2-fluorobenzoyl)amino]octanoate has a molecular weight of 353.51 g/mol, XLogP of 4.27, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 8-[(2-fluorobenzoyl)amino]octanoate is sourced from PubChem (CID 10760551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).