2,4-dibromo-N-(1-bromo-2-methylpropan-2-yl)-N-methylbenzamide

C12H14Br3NO — CID 107941385

IUPAC2,4-dibromo-N-(1-bromo-2-methylpropan-2-yl)-N-methylbenzamide
SMILESCN(C(=O)c1ccc(Br)cc1Br)C(C)(C)CBr
InChIInChI=1S/C12H14Br3NO/c1-12(2,7-13)16(3)11(17)9-5-4-8(14)6-10(9)15/h4-6H,7H2,1-3H3
InChIKeyRYOVNLLZLIRQOY-UHFFFAOYSA-N
MW427.96 g/mol
LogP4.46
Rot. Bonds3

About 2,4-dibromo-N-(1-bromo-2-methylpropan-2-yl)-N-methylbenzamide

2,4-dibromo-N-(1-bromo-2-methylpropan-2-yl)-N-methylbenzamide (PubChem CID 107941385) has the molecular formula C12H14Br3NO and a molecular weight of 427.96 g/mol. Its IUPAC name is 2,4-dibromo-N-(1-bromo-2-methylpropan-2-yl)-N-methylbenzamide.

Molecular Properties

Compound Name2,4-dibromo-N-(1-bromo-2-methylpropan-2-yl)-N-methylbenzamide
PubChem CID107941385
Molecular FormulaC12H14Br3NO
Molecular Weight427.96 g/mol
Exact Mass424.86
IUPAC Name2,4-dibromo-N-(1-bromo-2-methylpropan-2-yl)-N-methylbenzamide
SMILESCN(C(=O)c1ccc(Br)cc1Br)C(C)(C)CBr
InChIInChI=1S/C12H14Br3NO/c1-12(2,7-13)16(3)11(17)9-5-4-8(14)6-10(9)15/h4-6H,7H2,1-3H3
InChIKeyRYOVNLLZLIRQOY-UHFFFAOYSA-N
XLogP4.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.96
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzamide
CID 107988364
2,4-dibromo-N,N-bis(2-methylpropyl)benzamide
CID 107951816
2,4-dibromo-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbenzamide
CID 103882161
2,4-dibromo-N-butan-2-yl-N-methylbenzamide
CID 103883121
2,4-dibromo-N-methyl-N-(2-methylbutyl)benzamide
CID 103882827
1-(2,4-dibromophenyl)-2,2-dimethylpropan-1-one
CID 107944461
N-(3-amino-2,2-dimethylpropyl)-2,4-dibromo-N-ethylbenzamide
CID 107940082
N-(1-bromo-2-methylpropan-2-yl)-2-hydroxy-5-methoxy-N-methylbenzamide
CID 113476640
2,4-dibromo-N-methyl-N-(4-methylpentan-2-yl)benzamide
CID 114019946
2,4-dibromo-N-(cyclopropylmethyl)-N-methylbenzamide
CID 103882559
N-(2-amino-2-sulfanylideneethyl)-2,4-dibromo-N-methylbenzamide
CID 107938956
2,4-dibromo-N-(2-bromo-3-methoxypropyl)-N-methylbenzamide
CID 114018651

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(1-bromo-2-methylpropan-2-yl)-N-methylbenzamide?
The IUPAC name of 2,4-dibromo-N-(1-bromo-2-methylpropan-2-yl)-N-methylbenzamide (CID 107941385) is 2,4-dibromo-N-(1-bromo-2-methylpropan-2-yl)-N-methylbenzamide.
What is the SMILES notation for 2,4-dibromo-N-(1-bromo-2-methylpropan-2-yl)-N-methylbenzamide?
The canonical SMILES for 2,4-dibromo-N-(1-bromo-2-methylpropan-2-yl)-N-methylbenzamide is CN(C(=O)c1ccc(Br)cc1Br)C(C)(C)CBr.
What is the InChIKey of 2,4-dibromo-N-(1-bromo-2-methylpropan-2-yl)-N-methylbenzamide?
The InChIKey is RYOVNLLZLIRQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Br3NO/c1-12(2,7-13)16(3)11(17)9-5-4-8(14)6-10(9)15/h4-6H,7H2,1-3H3.
What are the key properties of 2,4-dibromo-N-(1-bromo-2-methylpropan-2-yl)-N-methylbenzamide?
2,4-dibromo-N-(1-bromo-2-methylpropan-2-yl)-N-methylbenzamide has a molecular weight of 427.96 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(1-bromo-2-methylpropan-2-yl)-N-methylbenzamide is sourced from PubChem (CID 107941385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).