methyl 4-[[2,4,6-trifluoro-3,5-bis(trimethylsilyl)benzoyl]amino]benzoate

C21H26F3NO3Si2 — CID 132529149

IUPACmethyl 4-[[2,4,6-trifluoro-3,5-bis(trimethylsilyl)benzoyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2c(F)c([Si](C)(C)C)c(F)c([Si](C)(C)C)c2F)cc1
InChIInChI=1S/C21H26F3NO3Si2/c1-28-21(27)12-8-10-13(11-9-12)25-20(26)14-15(22)18(29(2,3)4)17(24)19(16(14)23)30(5,6)7/h8-11H,1-7H3,(H,25,26)
InChIKeyJFBGJAWCLZOGTM-UHFFFAOYSA-N
MW453.61 g/mol
LogP4.23
Rot. Bonds5

About methyl 4-[[2,4,6-trifluoro-3,5-bis(trimethylsilyl)benzoyl]amino]benzoate

methyl 4-[[2,4,6-trifluoro-3,5-bis(trimethylsilyl)benzoyl]amino]benzoate (PubChem CID 132529149) has the molecular formula C21H26F3NO3Si2 and a molecular weight of 453.61 g/mol. Its IUPAC name is methyl 4-[[2,4,6-trifluoro-3,5-bis(trimethylsilyl)benzoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2,4,6-trifluoro-3,5-bis(trimethylsilyl)benzoyl]amino]benzoate
PubChem CID132529149
Molecular FormulaC21H26F3NO3Si2
Molecular Weight453.61 g/mol
Exact Mass453.14
IUPAC Namemethyl 4-[[2,4,6-trifluoro-3,5-bis(trimethylsilyl)benzoyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2c(F)c([Si](C)(C)C)c(F)c([Si](C)(C)C)c2F)cc1
InChIInChI=1S/C21H26F3NO3Si2/c1-28-21(27)12-8-10-13(11-9-12)25-20(26)14-15(22)18(29(2,3)4)17(24)19(16(14)23)30(5,6)7/h8-11H,1-7H3,(H,25,26)
InChIKeyJFBGJAWCLZOGTM-UHFFFAOYSA-N
XLogP4.23
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.61
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 4-[[2,4,6-trifluoro-3,5-bis(trimethylsilyl)benzoyl]amino]benzoate with MolForge

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Related Compounds

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methyl 4-[[4-[(4-hydroxyphenyl)carbamoyl]phenyl]carbamoyl]benzoate
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methyl 4-(pyridine-4-carbonylamino)benzoate;hydrochloride
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methyl 4-[4-[(2-chloro-6-fluorobenzoyl)amino]anilino]benzoate
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methyl 4-[(4-carbamoylbenzoyl)amino]benzoate
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methyl 4-[(4-carbamoylphenyl)carbamoyl]benzoate
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methyl 4-[(4-methoxyphenyl)carbamoyl]benzoate
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CID 110699348

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2,4,6-trifluoro-3,5-bis(trimethylsilyl)benzoyl]amino]benzoate?
The IUPAC name of methyl 4-[[2,4,6-trifluoro-3,5-bis(trimethylsilyl)benzoyl]amino]benzoate (CID 132529149) is methyl 4-[[2,4,6-trifluoro-3,5-bis(trimethylsilyl)benzoyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2,4,6-trifluoro-3,5-bis(trimethylsilyl)benzoyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2,4,6-trifluoro-3,5-bis(trimethylsilyl)benzoyl]amino]benzoate is COC(=O)c1ccc(NC(=O)c2c(F)c([Si](C)(C)C)c(F)c([Si](C)(C)C)c2F)cc1.
What is the InChIKey of methyl 4-[[2,4,6-trifluoro-3,5-bis(trimethylsilyl)benzoyl]amino]benzoate?
The InChIKey is JFBGJAWCLZOGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F3NO3Si2/c1-28-21(27)12-8-10-13(11-9-12)25-20(26)14-15(22)18(29(2,3)4)17(24)19(16(14)23)30(5,6)7/h8-11H,1-7H3,(H,25,26).
What are the key properties of methyl 4-[[2,4,6-trifluoro-3,5-bis(trimethylsilyl)benzoyl]amino]benzoate?
methyl 4-[[2,4,6-trifluoro-3,5-bis(trimethylsilyl)benzoyl]amino]benzoate has a molecular weight of 453.61 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2,4,6-trifluoro-3,5-bis(trimethylsilyl)benzoyl]amino]benzoate is sourced from PubChem (CID 132529149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).