2-(bromomethyl)-N-(trimethylsilylmethyl)benzamide

C12H18BrNOSi — CID 174748675

IUPAC2-(bromomethyl)-N-(trimethylsilylmethyl)benzamide
SMILESC[Si](C)(C)CNC(=O)c1ccccc1CBr
InChIInChI=1S/C12H18BrNOSi/c1-16(2,3)9-14-12(15)11-7-5-4-6-10(11)8-13/h4-7H,8-9H2,1-3H3,(H,14,15)
InChIKeyBRGGQAHXJWZVCV-UHFFFAOYSA-N
MW300.27 g/mol
LogP3.19
Rot. Bonds4

About 2-(bromomethyl)-N-(trimethylsilylmethyl)benzamide

2-(bromomethyl)-N-(trimethylsilylmethyl)benzamide (PubChem CID 174748675) has the molecular formula C12H18BrNOSi and a molecular weight of 300.27 g/mol. Its IUPAC name is 2-(bromomethyl)-N-(trimethylsilylmethyl)benzamide.

Molecular Properties

Compound Name2-(bromomethyl)-N-(trimethylsilylmethyl)benzamide
PubChem CID174748675
Molecular FormulaC12H18BrNOSi
Molecular Weight300.27 g/mol
Exact Mass299.03
IUPAC Name2-(bromomethyl)-N-(trimethylsilylmethyl)benzamide
SMILESC[Si](C)(C)CNC(=O)c1ccccc1CBr
InChIInChI=1S/C12H18BrNOSi/c1-16(2,3)9-14-12(15)11-7-5-4-6-10(11)8-13/h4-7H,8-9H2,1-3H3,(H,14,15)
InChIKeyBRGGQAHXJWZVCV-UHFFFAOYSA-N
XLogP3.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(trimethylsilylmethylcarbamoyl)benzoic acid
CID 59089159
2-(bromomethyl)-N-tert-butylbenzamide
CID 82110404
ethane;methyl 2-(bromomethyl)benzoate
CID 90979154
ethane;methyl 2-(bromomethyl)benzoate
CID 90986523
1-[2-(bromomethyl)phenyl]propan-1-one
CID 68951080
bromo 2-(bromomethyl)benzoate
CID 67515406
2-[2-[2-(dimethylamino)ethylcarbamoyl]phenyl]acetic acid
CID 114199769
2-[2-(bromomethyl)phenyl]-2-oxoacetic acid
CID 18629528
2-[2-(2-methylpropanoylamino)ethylcarbamoyl]benzoic acid
CID 60933200
3-[[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid
CID 71070439
2-ethyl-N-(4-hydroxypentyl)benzamide
CID 107300304
2-ethyl-N-(2-oxopropyl)benzamide
CID 22084530

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-N-(trimethylsilylmethyl)benzamide?
The IUPAC name of 2-(bromomethyl)-N-(trimethylsilylmethyl)benzamide (CID 174748675) is 2-(bromomethyl)-N-(trimethylsilylmethyl)benzamide.
What is the SMILES notation for 2-(bromomethyl)-N-(trimethylsilylmethyl)benzamide?
The canonical SMILES for 2-(bromomethyl)-N-(trimethylsilylmethyl)benzamide is C[Si](C)(C)CNC(=O)c1ccccc1CBr.
What is the InChIKey of 2-(bromomethyl)-N-(trimethylsilylmethyl)benzamide?
The InChIKey is BRGGQAHXJWZVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNOSi/c1-16(2,3)9-14-12(15)11-7-5-4-6-10(11)8-13/h4-7H,8-9H2,1-3H3,(H,14,15).
What are the key properties of 2-(bromomethyl)-N-(trimethylsilylmethyl)benzamide?
2-(bromomethyl)-N-(trimethylsilylmethyl)benzamide has a molecular weight of 300.27 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-N-(trimethylsilylmethyl)benzamide is sourced from PubChem (CID 174748675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).