2,4-dibromo-N-(2-ethoxy-2-methylpropyl)benzamide

C13H17Br2NO2 — CID 105343041

IUPAC2,4-dibromo-N-(2-ethoxy-2-methylpropyl)benzamide
SMILESCCOC(C)(C)CNC(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C13H17Br2NO2/c1-4-18-13(2,3)8-16-12(17)10-6-5-9(14)7-11(10)15/h5-7H,4,8H2,1-3H3,(H,16,17)
InChIKeyQFKPWFDJZHYLEH-UHFFFAOYSA-N
MW379.09 g/mol
LogP3.76
Rot. Bonds5

About 2,4-dibromo-N-(2-ethoxy-2-methylpropyl)benzamide

2,4-dibromo-N-(2-ethoxy-2-methylpropyl)benzamide (PubChem CID 105343041) has the molecular formula C13H17Br2NO2 and a molecular weight of 379.09 g/mol. Its IUPAC name is 2,4-dibromo-N-(2-ethoxy-2-methylpropyl)benzamide.

Molecular Properties

Compound Name2,4-dibromo-N-(2-ethoxy-2-methylpropyl)benzamide
PubChem CID105343041
Molecular FormulaC13H17Br2NO2
Molecular Weight379.09 g/mol
Exact Mass376.96
IUPAC Name2,4-dibromo-N-(2-ethoxy-2-methylpropyl)benzamide
SMILESCCOC(C)(C)CNC(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C13H17Br2NO2/c1-4-18-13(2,3)8-16-12(17)10-6-5-9(14)7-11(10)15/h5-7H,4,8H2,1-3H3,(H,16,17)
InChIKeyQFKPWFDJZHYLEH-UHFFFAOYSA-N
XLogP3.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.09
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(2-ethoxy-2-methylpropyl)-2-(trifluoromethyl)benzamide
CID 105343037
2,4-dibromo-N-(2-hydroxy-2-methylpropyl)benzamide
CID 103883047
2-bromo-N-(2-ethoxy-2-methylpropyl)pyridine-3-carboxamide
CID 105343028
N-(2-ethoxy-2-methylpropyl)-4-fluoro-2-hydroxybenzamide
CID 105343049
2,4-dibromo-N-(3,3-dimethyl-2-oxobutyl)benzamide
CID 103885609
2,4-dibromo-N-(2-methoxyethyl)benzamide
CID 103882043
2,4-dibromo-N-(3-ethoxypropyl)benzamide
CID 103882188
N-(2-ethoxy-2-methylpropyl)-2-methyl-4-(propylamino)benzamide
CID 114944148
N-(2-ethoxy-2-methylpropyl)-5-methyl-2-(methylamino)benzamide
CID 114944072
2-chloro-N-(2-ethoxy-2-methylpropyl)-5-sulfamoylbenzamide
CID 114944541
2,4-dibromo-N-(2-bromoethyl)benzamide
CID 107941215
2,4-dibromo-N-(1,3-dihydroxy-2-methylpropan-2-yl)benzamide
CID 104920704

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(2-ethoxy-2-methylpropyl)benzamide?
The IUPAC name of 2,4-dibromo-N-(2-ethoxy-2-methylpropyl)benzamide (CID 105343041) is 2,4-dibromo-N-(2-ethoxy-2-methylpropyl)benzamide.
What is the SMILES notation for 2,4-dibromo-N-(2-ethoxy-2-methylpropyl)benzamide?
The canonical SMILES for 2,4-dibromo-N-(2-ethoxy-2-methylpropyl)benzamide is CCOC(C)(C)CNC(=O)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-(2-ethoxy-2-methylpropyl)benzamide?
The InChIKey is QFKPWFDJZHYLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Br2NO2/c1-4-18-13(2,3)8-16-12(17)10-6-5-9(14)7-11(10)15/h5-7H,4,8H2,1-3H3,(H,16,17).
What are the key properties of 2,4-dibromo-N-(2-ethoxy-2-methylpropyl)benzamide?
2,4-dibromo-N-(2-ethoxy-2-methylpropyl)benzamide has a molecular weight of 379.09 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(2-ethoxy-2-methylpropyl)benzamide is sourced from PubChem (CID 105343041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).