4-azido-2,3,5,6-tetrafluoro-N-(trimethoxysilylmethyl)benzamide

C11H12F4N4O4Si — CID 59753258

IUPAC4-azido-2,3,5,6-tetrafluoro-N-(trimethoxysilylmethyl)benzamide
SMILESCO[Si](CNC(=O)c1c(F)c(F)c(N=[N+]=[N-])c(F)c1F)(OC)OC
InChIInChI=1S/C11H12F4N4O4Si/c1-21-24(22-2,23-3)4-17-11(20)5-6(12)8(14)10(18-19-16)9(15)7(5)13/h4H2,1-3H3,(H,17,20)
InChIKeyUPCVWECVTPOQSQ-UHFFFAOYSA-N
MW368.32 g/mol
LogP2.33
Rot. Bonds7

About 4-azido-2,3,5,6-tetrafluoro-N-(trimethoxysilylmethyl)benzamide

4-azido-2,3,5,6-tetrafluoro-N-(trimethoxysilylmethyl)benzamide (PubChem CID 59753258) has the molecular formula C11H12F4N4O4Si and a molecular weight of 368.32 g/mol. Its IUPAC name is 4-azido-2,3,5,6-tetrafluoro-N-(trimethoxysilylmethyl)benzamide.

Molecular Properties

Compound Name4-azido-2,3,5,6-tetrafluoro-N-(trimethoxysilylmethyl)benzamide
PubChem CID59753258
Molecular FormulaC11H12F4N4O4Si
Molecular Weight368.32 g/mol
Exact Mass368.06
IUPAC Name4-azido-2,3,5,6-tetrafluoro-N-(trimethoxysilylmethyl)benzamide
SMILESCO[Si](CNC(=O)c1c(F)c(F)c(N=[N+]=[N-])c(F)c1F)(OC)OC
InChIInChI=1S/C11H12F4N4O4Si/c1-21-24(22-2,23-3)4-17-11(20)5-6(12)8(14)10(18-19-16)9(15)7(5)13/h4H2,1-3H3,(H,17,20)
InChIKeyUPCVWECVTPOQSQ-UHFFFAOYSA-N
XLogP2.33
TPSA105.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.32
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

4-azido-2,3,5,6-tetrafluoro-N-(3-trimethoxysilylpropyl)benzamide;4-azido-N-(3-trimethoxysilylpropyl)benzamide;4-benzoyl-N-(3-trimethoxysilylpropyl)benzamide
CID 159843457
4-azido-N-[3-(dimethylamino)propyl]-2,3,5,6-tetrafluorobenzamide
CID 101443600
4-azido-2,3,5,6-tetrafluoro-N-(8-hydroxyoctyl)benzamide
CID 59172552
4-azido-2,3,5,6-tetrafluoro-N-(5-methyl-4-oxohex-5-enyl)benzamide
CID 161278811
4-azido-N-[3-(ethenylsulfonylamino)propyl]-2,3,5,6-tetrafluorobenzamide
CID 155381882
2-(2-methylprop-2-enoylamino)ethyl 4-azido-2,3,5,6-tetrafluorobenzoate
CID 155383085
N-[[ethyl(dimethoxy)silyl]methyl]-2,3,4,5,6-pentafluorobenzamide
CID 90171563
[2,2-bis[(4-azido-2,3,5,6-tetrafluorobenzoyl)oxymethyl]-3-methoxypropyl] 4-azido-2,3,5,6-tetrafluorobenzoate
CID 170651353
1-(4-azido-2,3,5,6-tetrafluorophenyl)-2-bromoethanone
CID 14642570
methyl 4-azido-2,3,5-trifluoro-6-nitrobenzoate
CID 14642573
N-[4-[dihydroxy(methoxy)silyl]butyl]-2,3,4,5,6-pentafluorobenzamide
CID 90170706
N-[3-[diethoxy(methoxy)silyl]propyl]-2,3,4,5,6-pentafluorobenzamide
CID 90175282

Frequently Asked Questions

What is the IUPAC name of 4-azido-2,3,5,6-tetrafluoro-N-(trimethoxysilylmethyl)benzamide?
The IUPAC name of 4-azido-2,3,5,6-tetrafluoro-N-(trimethoxysilylmethyl)benzamide (CID 59753258) is 4-azido-2,3,5,6-tetrafluoro-N-(trimethoxysilylmethyl)benzamide.
What is the SMILES notation for 4-azido-2,3,5,6-tetrafluoro-N-(trimethoxysilylmethyl)benzamide?
The canonical SMILES for 4-azido-2,3,5,6-tetrafluoro-N-(trimethoxysilylmethyl)benzamide is CO[Si](CNC(=O)c1c(F)c(F)c(N=[N+]=[N-])c(F)c1F)(OC)OC.
What is the InChIKey of 4-azido-2,3,5,6-tetrafluoro-N-(trimethoxysilylmethyl)benzamide?
The InChIKey is UPCVWECVTPOQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F4N4O4Si/c1-21-24(22-2,23-3)4-17-11(20)5-6(12)8(14)10(18-19-16)9(15)7(5)13/h4H2,1-3H3,(H,17,20).
What are the key properties of 4-azido-2,3,5,6-tetrafluoro-N-(trimethoxysilylmethyl)benzamide?
4-azido-2,3,5,6-tetrafluoro-N-(trimethoxysilylmethyl)benzamide has a molecular weight of 368.32 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-2,3,5,6-tetrafluoro-N-(trimethoxysilylmethyl)benzamide is sourced from PubChem (CID 59753258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).