2-methyl-3,5-dinitro-N-trimethylsilylbenzamide

C11H15N3O5Si — CID 91697364

IUPAC2-methyl-3,5-dinitro-N-trimethylsilylbenzamide
SMILESCc1c(C(=O)N[Si](C)(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C11H15N3O5Si/c1-7-9(11(15)12-20(2,3)4)5-8(13(16)17)6-10(7)14(18)19/h5-6H,1-4H3,(H,12,15)
InChIKeyMNADNQAGPRPGMI-UHFFFAOYSA-N
MW297.34 g/mol
LogP2.38
Rot. Bonds4

About 2-methyl-3,5-dinitro-N-trimethylsilylbenzamide

2-methyl-3,5-dinitro-N-trimethylsilylbenzamide (PubChem CID 91697364) has the molecular formula C11H15N3O5Si and a molecular weight of 297.34 g/mol. Its IUPAC name is 2-methyl-3,5-dinitro-N-trimethylsilylbenzamide.

Molecular Properties

Compound Name2-methyl-3,5-dinitro-N-trimethylsilylbenzamide
PubChem CID91697364
Molecular FormulaC11H15N3O5Si
Molecular Weight297.34 g/mol
Exact Mass297.08
IUPAC Name2-methyl-3,5-dinitro-N-trimethylsilylbenzamide
SMILESCc1c(C(=O)N[Si](C)(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C11H15N3O5Si/c1-7-9(11(15)12-20(2,3)4)5-8(13(16)17)6-10(7)14(18)19/h5-6H,1-4H3,(H,12,15)
InChIKeyMNADNQAGPRPGMI-UHFFFAOYSA-N
XLogP2.38
TPSA115.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 52.38
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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Related Compounds

N-(1-hydroxypropan-2-yl)-2-methyl-3,5-dinitrobenzamide
CID 78857037
N-(3,4-dimethylphenyl)-2-methyl-3,5-dinitrobenzamide
CID 4630159
N-heptyl-2-methyl-3,5-dinitrobenzamide
CID 3808618
N-cyclohexyl-2-methyl-3,5-dinitrobenzamide;hydrate
CID 51056886
2-methyl-1,3,5-trinitrobenzene
CID 87172748
N-(2-bromophenyl)-2-methyl-3,5-dinitrobenzamide
CID 3296693
2-methyl-N-(4-methylsulfanylphenyl)-3,5-dinitrobenzamide
CID 42369778
N-(4-bromo-3-chlorophenyl)-2-methyl-3,5-dinitrobenzamide
CID 17256775
(2-methyl-3,5-dinitrophenyl)-morpholin-4-ylmethanone
CID 3642904
4-ethylsulfonyl-2-[(2-methyl-3,5-dinitrobenzoyl)amino]butanoic acid
CID 108731649
N-(N'-cyclooctylcarbamimidoyl)-2-methyl-3,5-dinitrobenzamide
CID 51059996
2-methoxy-3,5-dinitrobenzoic acid
CID 606681

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,5-dinitro-N-trimethylsilylbenzamide?
The IUPAC name of 2-methyl-3,5-dinitro-N-trimethylsilylbenzamide (CID 91697364) is 2-methyl-3,5-dinitro-N-trimethylsilylbenzamide.
What is the SMILES notation for 2-methyl-3,5-dinitro-N-trimethylsilylbenzamide?
The canonical SMILES for 2-methyl-3,5-dinitro-N-trimethylsilylbenzamide is Cc1c(C(=O)N[Si](C)(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of 2-methyl-3,5-dinitro-N-trimethylsilylbenzamide?
The InChIKey is MNADNQAGPRPGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5Si/c1-7-9(11(15)12-20(2,3)4)5-8(13(16)17)6-10(7)14(18)19/h5-6H,1-4H3,(H,12,15).
What are the key properties of 2-methyl-3,5-dinitro-N-trimethylsilylbenzamide?
2-methyl-3,5-dinitro-N-trimethylsilylbenzamide has a molecular weight of 297.34 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,5-dinitro-N-trimethylsilylbenzamide is sourced from PubChem (CID 91697364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).