4-nitro-N-trimethylsilylbenzamide

C10H14N2O3Si — CID 12726300

IUPAC4-nitro-N-trimethylsilylbenzamide
SMILESC[Si](C)(C)NC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H14N2O3Si/c1-16(2,3)11-10(13)8-4-6-9(7-5-8)12(14)15/h4-7H,1-3H3,(H,11,13)
InChIKeyXLSYAWHCTYEHRB-UHFFFAOYSA-N
MW238.32 g/mol
LogP2.16
Rot. Bonds3

About 4-nitro-N-trimethylsilylbenzamide

4-nitro-N-trimethylsilylbenzamide (PubChem CID 12726300) has the molecular formula C10H14N2O3Si and a molecular weight of 238.32 g/mol. Its IUPAC name is 4-nitro-N-trimethylsilylbenzamide.

Molecular Properties

Compound Name4-nitro-N-trimethylsilylbenzamide
PubChem CID12726300
Molecular FormulaC10H14N2O3Si
Molecular Weight238.32 g/mol
Exact Mass238.08
IUPAC Name4-nitro-N-trimethylsilylbenzamide
SMILESC[Si](C)(C)NC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H14N2O3Si/c1-16(2,3)11-10(13)8-4-6-9(7-5-8)12(14)15/h4-7H,1-3H3,(H,11,13)
InChIKeyXLSYAWHCTYEHRB-UHFFFAOYSA-N
XLogP2.16
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Related Compounds

4-nitrobenzohydrazide;hydrochloride
CID 172718286
N-formyl-4-nitrobenzamide
CID 12550339
N-[(2R)-3-methylbutan-2-yl]-4-nitrobenzamide
CID 92515236
methyl N-[(4-nitrobenzoyl)amino]carbamate
CID 3756134
4-amino-N-methylbenzamide;N-methyl-4-nitrobenzamide
CID 91087652
N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-nitrobenzamide
CID 102468027
trimethylsilyl 4-nitrobenzoate
CID 12579305
N'-(2,2-dimethylpropanoyl)-4-nitrobenzohydrazide
CID 4927498
4-nitro-N-[6-[(4-nitrobenzoyl)amino]-2-pyridinyl]benzamide
CID 4320566
N-[2,2-dimethyl-3-[(4-nitrobenzoyl)amino]propyl]-4-nitrobenzamide
CID 4047461
ethane;1-(4-nitrophenyl)ethanone
CID 172597016
3,4-dichloro-N'-(4-nitrobenzoyl)benzohydrazide
CID 3339172

Frequently Asked Questions

What is the IUPAC name of 4-nitro-N-trimethylsilylbenzamide?
The IUPAC name of 4-nitro-N-trimethylsilylbenzamide (CID 12726300) is 4-nitro-N-trimethylsilylbenzamide.
What is the SMILES notation for 4-nitro-N-trimethylsilylbenzamide?
The canonical SMILES for 4-nitro-N-trimethylsilylbenzamide is C[Si](C)(C)NC(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-nitro-N-trimethylsilylbenzamide?
The InChIKey is XLSYAWHCTYEHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3Si/c1-16(2,3)11-10(13)8-4-6-9(7-5-8)12(14)15/h4-7H,1-3H3,(H,11,13).
What are the key properties of 4-nitro-N-trimethylsilylbenzamide?
4-nitro-N-trimethylsilylbenzamide has a molecular weight of 238.32 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N-trimethylsilylbenzamide is sourced from PubChem (CID 12726300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).