2-bromo-N-(1-bromo-2-methylpropan-2-yl)-5-methylbenzamide

C12H15Br2NO — CID 114308205

IUPAC2-bromo-N-(1-bromo-2-methylpropan-2-yl)-5-methylbenzamide
SMILESCc1ccc(Br)c(C(=O)NC(C)(C)CBr)c1
InChIInChI=1S/C12H15Br2NO/c1-8-4-5-10(14)9(6-8)11(16)15-12(2,3)7-13/h4-6H,7H2,1-3H3,(H,15,16)
InChIKeyVTLWCVGFKBMYMW-UHFFFAOYSA-N
MW349.07 g/mol
LogP3.66
Rot. Bonds3

About 2-bromo-N-(1-bromo-2-methylpropan-2-yl)-5-methylbenzamide

2-bromo-N-(1-bromo-2-methylpropan-2-yl)-5-methylbenzamide (PubChem CID 114308205) has the molecular formula C12H15Br2NO and a molecular weight of 349.07 g/mol. Its IUPAC name is 2-bromo-N-(1-bromo-2-methylpropan-2-yl)-5-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(1-bromo-2-methylpropan-2-yl)-5-methylbenzamide
PubChem CID114308205
Molecular FormulaC12H15Br2NO
Molecular Weight349.07 g/mol
Exact Mass346.95
IUPAC Name2-bromo-N-(1-bromo-2-methylpropan-2-yl)-5-methylbenzamide
SMILESCc1ccc(Br)c(C(=O)NC(C)(C)CBr)c1
InChIInChI=1S/C12H15Br2NO/c1-8-4-5-10(14)9(6-8)11(16)15-12(2,3)7-13/h4-6H,7H2,1-3H3,(H,15,16)
InChIKeyVTLWCVGFKBMYMW-UHFFFAOYSA-N
XLogP3.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.07
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(1-bromo-2-methylpropan-2-yl)-2,4-dimethylbenzamide
CID 114307956
N-(1-bromo-2-methylpropan-2-yl)-2-(2,5-dimethylphenyl)acetamide
CID 114308151
3-[(2-bromo-5-methylbenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 81109719
5-bromo-N-(1-bromo-2-methylpropan-2-yl)-2-hydroxybenzamide
CID 107730406
3-[(2-bromo-5-fluorobenzoyl)amino]-3-methylbutanoic acid
CID 64672122
2-bromo-1-(2-bromo-5-methylphenyl)ethanone
CID 81117333
4-bromo-N-(1-bromo-2-methylpropan-2-yl)-2-fluorobenzamide
CID 114308107
2-amino-5-methyl-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 62509238
2-bromo-5-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 14002103
N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-bromo-5-sulfanylbenzamide
CID 114143208
2-bromo-5-methylbenzoic acid;ethane
CID 142935649
2-bromo-5-sulfanyl-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 107026909

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1-bromo-2-methylpropan-2-yl)-5-methylbenzamide?
The IUPAC name of 2-bromo-N-(1-bromo-2-methylpropan-2-yl)-5-methylbenzamide (CID 114308205) is 2-bromo-N-(1-bromo-2-methylpropan-2-yl)-5-methylbenzamide.
What is the SMILES notation for 2-bromo-N-(1-bromo-2-methylpropan-2-yl)-5-methylbenzamide?
The canonical SMILES for 2-bromo-N-(1-bromo-2-methylpropan-2-yl)-5-methylbenzamide is Cc1ccc(Br)c(C(=O)NC(C)(C)CBr)c1.
What is the InChIKey of 2-bromo-N-(1-bromo-2-methylpropan-2-yl)-5-methylbenzamide?
The InChIKey is VTLWCVGFKBMYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2NO/c1-8-4-5-10(14)9(6-8)11(16)15-12(2,3)7-13/h4-6H,7H2,1-3H3,(H,15,16).
What are the key properties of 2-bromo-N-(1-bromo-2-methylpropan-2-yl)-5-methylbenzamide?
2-bromo-N-(1-bromo-2-methylpropan-2-yl)-5-methylbenzamide has a molecular weight of 349.07 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1-bromo-2-methylpropan-2-yl)-5-methylbenzamide is sourced from PubChem (CID 114308205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).