2,3,5,6-tetrafluoro-4-(octan-4-ylamino)-N-(2-trimethoxysilylethyl)benzamide

C20H32F4N2O4Si — CID 59172569

IUPAC2,3,5,6-tetrafluoro-4-(octan-4-ylamino)-N-(2-trimethoxysilylethyl)benzamide
SMILESCCCCC(CCC)Nc1c(F)c(F)c(C(=O)NCC[Si](OC)(OC)OC)c(F)c1F
InChIInChI=1S/C20H32F4N2O4Si/c1-6-8-10-13(9-7-2)26-19-17(23)15(21)14(16(22)18(19)24)20(27)25-11-12-31(28-3,29-4)30-5/h13,26H,6-12H2,1-5H3,(H,25,27)
InChIKeyQMTHEACCOWLQDX-UHFFFAOYSA-N
MW468.56 g/mol
LogP4.62
Rot. Bonds14

About 2,3,5,6-tetrafluoro-4-(octan-4-ylamino)-N-(2-trimethoxysilylethyl)benzamide

2,3,5,6-tetrafluoro-4-(octan-4-ylamino)-N-(2-trimethoxysilylethyl)benzamide (PubChem CID 59172569) has the molecular formula C20H32F4N2O4Si and a molecular weight of 468.56 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-4-(octan-4-ylamino)-N-(2-trimethoxysilylethyl)benzamide.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-4-(octan-4-ylamino)-N-(2-trimethoxysilylethyl)benzamide
PubChem CID59172569
Molecular FormulaC20H32F4N2O4Si
Molecular Weight468.56 g/mol
Exact Mass468.21
IUPAC Name2,3,5,6-tetrafluoro-4-(octan-4-ylamino)-N-(2-trimethoxysilylethyl)benzamide
SMILESCCCCC(CCC)Nc1c(F)c(F)c(C(=O)NCC[Si](OC)(OC)OC)c(F)c1F
InChIInChI=1S/C20H32F4N2O4Si/c1-6-8-10-13(9-7-2)26-19-17(23)15(21)14(16(22)18(19)24)20(27)25-11-12-31(28-3,29-4)30-5/h13,26H,6-12H2,1-5H3,(H,25,27)
InChIKeyQMTHEACCOWLQDX-UHFFFAOYSA-N
XLogP4.62
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2,3,5,6-tetrafluoro-4-[5-[2,3,5,6-tetrafluoro-4-(2-trimethoxysilylethylcarbamoyl)anilino]octan-4-ylamino]benzamide
CID 59172546
N-[3-[diethoxy(methoxy)silyl]propyl]-2,3,4,5,6-pentafluorobenzamide
CID 90175282
2,3,4,5,6-pentafluoro-N-heptan-4-ylaniline
CID 115564089
N-[4-[dihydroxy(methoxy)silyl]butyl]-2,3,4,5,6-pentafluorobenzamide
CID 90170706
N-[[ethyl(dimethoxy)silyl]methyl]-2,3,4,5,6-pentafluorobenzamide
CID 90171563
2,3,4,5,6-pentafluoro-N-(4-hydroxypentyl)benzamide
CID 106120495
2,3,4,5,6-pentafluoro-N-(3-hydroxy-4-methoxybutyl)benzamide
CID 106243310
2-amino-6-methoxy-N-octan-4-ylbenzamide
CID 106021762
3-fluoro-2-(octan-4-ylamino)pyridine-4-carboxylic acid
CID 106019558
4-azido-2,3,5,6-tetrafluoro-N-(trimethoxysilylmethyl)benzamide
CID 59753258
1-(2,3,4,5,6-pentafluorophenyl)-3-(3-trimethoxysilylpropyl)urea
CID 90174028
N-(5-amino-4-methylpentyl)-2,3,4,5,6-pentafluorobenzamide
CID 106153328

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-4-(octan-4-ylamino)-N-(2-trimethoxysilylethyl)benzamide?
The IUPAC name of 2,3,5,6-tetrafluoro-4-(octan-4-ylamino)-N-(2-trimethoxysilylethyl)benzamide (CID 59172569) is 2,3,5,6-tetrafluoro-4-(octan-4-ylamino)-N-(2-trimethoxysilylethyl)benzamide.
What is the SMILES notation for 2,3,5,6-tetrafluoro-4-(octan-4-ylamino)-N-(2-trimethoxysilylethyl)benzamide?
The canonical SMILES for 2,3,5,6-tetrafluoro-4-(octan-4-ylamino)-N-(2-trimethoxysilylethyl)benzamide is CCCCC(CCC)Nc1c(F)c(F)c(C(=O)NCC[Si](OC)(OC)OC)c(F)c1F.
What is the InChIKey of 2,3,5,6-tetrafluoro-4-(octan-4-ylamino)-N-(2-trimethoxysilylethyl)benzamide?
The InChIKey is QMTHEACCOWLQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32F4N2O4Si/c1-6-8-10-13(9-7-2)26-19-17(23)15(21)14(16(22)18(19)24)20(27)25-11-12-31(28-3,29-4)30-5/h13,26H,6-12H2,1-5H3,(H,25,27).
What are the key properties of 2,3,5,6-tetrafluoro-4-(octan-4-ylamino)-N-(2-trimethoxysilylethyl)benzamide?
2,3,5,6-tetrafluoro-4-(octan-4-ylamino)-N-(2-trimethoxysilylethyl)benzamide has a molecular weight of 468.56 g/mol, XLogP of 4.62, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-4-(octan-4-ylamino)-N-(2-trimethoxysilylethyl)benzamide is sourced from PubChem (CID 59172569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).