5-bromo-N-(4-bromo-2-methylbutyl)-2-methylbenzamide

C13H17Br2NO — CID 114316915

IUPAC5-bromo-N-(4-bromo-2-methylbutyl)-2-methylbenzamide
SMILESCc1ccc(Br)cc1C(=O)NCC(C)CCBr
InChIInChI=1S/C13H17Br2NO/c1-9(5-6-14)8-16-13(17)12-7-11(15)4-3-10(12)2/h3-4,7,9H,5-6,8H2,1-2H3,(H,16,17)
InChIKeyAOLUIVXUOJRIMB-UHFFFAOYSA-N
MW363.09 g/mol
LogP3.91
Rot. Bonds5

About 5-bromo-N-(4-bromo-2-methylbutyl)-2-methylbenzamide

5-bromo-N-(4-bromo-2-methylbutyl)-2-methylbenzamide (PubChem CID 114316915) has the molecular formula C13H17Br2NO and a molecular weight of 363.09 g/mol. Its IUPAC name is 5-bromo-N-(4-bromo-2-methylbutyl)-2-methylbenzamide.

Molecular Properties

Compound Name5-bromo-N-(4-bromo-2-methylbutyl)-2-methylbenzamide
PubChem CID114316915
Molecular FormulaC13H17Br2NO
Molecular Weight363.09 g/mol
Exact Mass360.97
IUPAC Name5-bromo-N-(4-bromo-2-methylbutyl)-2-methylbenzamide
SMILESCc1ccc(Br)cc1C(=O)NCC(C)CCBr
InChIInChI=1S/C13H17Br2NO/c1-9(5-6-14)8-16-13(17)12-7-11(15)4-3-10(12)2/h3-4,7,9H,5-6,8H2,1-2H3,(H,16,17)
InChIKeyAOLUIVXUOJRIMB-UHFFFAOYSA-N
XLogP3.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.09
LogP ≤ 53.91
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

4-bromo-N-(4-bromo-2-methylbutyl)-2-methylbenzamide
CID 114316945
5-bromo-2-methyl-N-(2-methylpropyl)benzamide
CID 65308117
5-bromo-N-(2,2-difluoroethyl)-2-methylbenzamide
CID 79078701
N-(2-amino-3-methylbutyl)-5-bromo-2-methylbenzamide
CID 65311918
5-bromo-2-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
CID 65309537
5-bromo-N-(2-ethoxypropyl)-2-methylbenzamide
CID 115648997
N-(4-bromo-2-methylbutyl)-2,5-dichlorobenzamide
CID 114316716
N-(4-bromo-2-methylbutyl)-3-hydroxy-4-methylbenzamide
CID 114316818
5-bromo-N-[2-(2-hydroxyethyl)pentyl]-2-methylbenzamide
CID 103725574
N-(4-bromo-2-methylbutyl)-2-hydroxybenzamide
CID 114316832
5-bromo-2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 65309104
5-[(2,5-dimethylbenzoyl)amino]-4-methylpentanoic acid
CID 82009424

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-bromo-2-methylbutyl)-2-methylbenzamide?
The IUPAC name of 5-bromo-N-(4-bromo-2-methylbutyl)-2-methylbenzamide (CID 114316915) is 5-bromo-N-(4-bromo-2-methylbutyl)-2-methylbenzamide.
What is the SMILES notation for 5-bromo-N-(4-bromo-2-methylbutyl)-2-methylbenzamide?
The canonical SMILES for 5-bromo-N-(4-bromo-2-methylbutyl)-2-methylbenzamide is Cc1ccc(Br)cc1C(=O)NCC(C)CCBr.
What is the InChIKey of 5-bromo-N-(4-bromo-2-methylbutyl)-2-methylbenzamide?
The InChIKey is AOLUIVXUOJRIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Br2NO/c1-9(5-6-14)8-16-13(17)12-7-11(15)4-3-10(12)2/h3-4,7,9H,5-6,8H2,1-2H3,(H,16,17).
What are the key properties of 5-bromo-N-(4-bromo-2-methylbutyl)-2-methylbenzamide?
5-bromo-N-(4-bromo-2-methylbutyl)-2-methylbenzamide has a molecular weight of 363.09 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-bromo-2-methylbutyl)-2-methylbenzamide is sourced from PubChem (CID 114316915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).