4-fluoro-2-methyl-5-nitro-N-(5-trimethylsilylpyrimidin-2-yl)benzamide

C15H17FN4O3Si — CID 167766441

IUPAC4-fluoro-2-methyl-5-nitro-N-(5-trimethylsilylpyrimidin-2-yl)benzamide
SMILESCc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1ncc([Si](C)(C)C)cn1
InChIInChI=1S/C15H17FN4O3Si/c1-9-5-12(16)13(20(22)23)6-11(9)14(21)19-15-17-7-10(8-18-15)24(2,3)4/h5-8H,1-4H3,(H,17,18,19,21)
InChIKeyUFKVOJXCRHDTDR-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.63
Rot. Bonds4

About 4-fluoro-2-methyl-5-nitro-N-(5-trimethylsilylpyrimidin-2-yl)benzamide

4-fluoro-2-methyl-5-nitro-N-(5-trimethylsilylpyrimidin-2-yl)benzamide (PubChem CID 167766441) has the molecular formula C15H17FN4O3Si and a molecular weight of 348.41 g/mol. Its IUPAC name is 4-fluoro-2-methyl-5-nitro-N-(5-trimethylsilylpyrimidin-2-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-5-nitro-N-(5-trimethylsilylpyrimidin-2-yl)benzamide
PubChem CID167766441
Molecular FormulaC15H17FN4O3Si
Molecular Weight348.41 g/mol
Exact Mass348.11
IUPAC Name4-fluoro-2-methyl-5-nitro-N-(5-trimethylsilylpyrimidin-2-yl)benzamide
SMILESCc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1ncc([Si](C)(C)C)cn1
InChIInChI=1S/C15H17FN4O3Si/c1-9-5-12(16)13(20(22)23)6-11(9)14(21)19-15-17-7-10(8-18-15)24(2,3)4/h5-8H,1-4H3,(H,17,18,19,21)
InChIKeyUFKVOJXCRHDTDR-UHFFFAOYSA-N
XLogP2.63
TPSA98.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-5-nitro-N-(5-trimethylsilylpyrimidin-2-yl)benzamide?
The IUPAC name of 4-fluoro-2-methyl-5-nitro-N-(5-trimethylsilylpyrimidin-2-yl)benzamide (CID 167766441) is 4-fluoro-2-methyl-5-nitro-N-(5-trimethylsilylpyrimidin-2-yl)benzamide.
What is the SMILES notation for 4-fluoro-2-methyl-5-nitro-N-(5-trimethylsilylpyrimidin-2-yl)benzamide?
The canonical SMILES for 4-fluoro-2-methyl-5-nitro-N-(5-trimethylsilylpyrimidin-2-yl)benzamide is Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1ncc([Si](C)(C)C)cn1.
What is the InChIKey of 4-fluoro-2-methyl-5-nitro-N-(5-trimethylsilylpyrimidin-2-yl)benzamide?
The InChIKey is UFKVOJXCRHDTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O3Si/c1-9-5-12(16)13(20(22)23)6-11(9)14(21)19-15-17-7-10(8-18-15)24(2,3)4/h5-8H,1-4H3,(H,17,18,19,21).
What are the key properties of 4-fluoro-2-methyl-5-nitro-N-(5-trimethylsilylpyrimidin-2-yl)benzamide?
4-fluoro-2-methyl-5-nitro-N-(5-trimethylsilylpyrimidin-2-yl)benzamide has a molecular weight of 348.41 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-5-nitro-N-(5-trimethylsilylpyrimidin-2-yl)benzamide is sourced from PubChem (CID 167766441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).