2,4-dibromo-N-(3,3-dimethyl-2-oxobutyl)benzamide

C13H15Br2NO2 — CID 103885609

IUPAC2,4-dibromo-N-(3,3-dimethyl-2-oxobutyl)benzamide
SMILESCC(C)(C)C(=O)CNC(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C13H15Br2NO2/c1-13(2,3)11(17)7-16-12(18)9-5-4-8(14)6-10(9)15/h4-6H,7H2,1-3H3,(H,16,18)
InChIKeyQJLLWNSKIVUXGL-UHFFFAOYSA-N
MW377.08 g/mol
LogP3.56
Rot. Bonds3

About 2,4-dibromo-N-(3,3-dimethyl-2-oxobutyl)benzamide

2,4-dibromo-N-(3,3-dimethyl-2-oxobutyl)benzamide (PubChem CID 103885609) has the molecular formula C13H15Br2NO2 and a molecular weight of 377.08 g/mol. Its IUPAC name is 2,4-dibromo-N-(3,3-dimethyl-2-oxobutyl)benzamide.

Molecular Properties

Compound Name2,4-dibromo-N-(3,3-dimethyl-2-oxobutyl)benzamide
PubChem CID103885609
Molecular FormulaC13H15Br2NO2
Molecular Weight377.08 g/mol
Exact Mass374.95
IUPAC Name2,4-dibromo-N-(3,3-dimethyl-2-oxobutyl)benzamide
SMILESCC(C)(C)C(=O)CNC(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C13H15Br2NO2/c1-13(2,3)11(17)7-16-12(18)9-5-4-8(14)6-10(9)15/h4-6H,7H2,1-3H3,(H,16,18)
InChIKeyQJLLWNSKIVUXGL-UHFFFAOYSA-N
XLogP3.56
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.08
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-(3,3-dimethyl-2-oxobutyl)-2-methylbenzamide
CID 65307856
2,4-dibromo-N-(2-hydroxy-2-methylpropyl)benzamide
CID 103883047
2,4-dibromo-N-(3-methyl-2-oxobutyl)benzamide
CID 104860776
2,4-dibromo-N-(2-methoxyethyl)benzamide
CID 103882043
2,4-dibromo-N-(2-ethoxy-2-methylpropyl)benzamide
CID 105343041
2,4-dibromo-N-(2-bromoethyl)benzamide
CID 107941215
2,4-dibromo-N-(1,3-dihydroxy-2-methylpropan-2-yl)benzamide
CID 104920704
2,4-dibromo-N-(2-chloro-4,4-dimethylpentyl)benzamide
CID 107941541
1-(2,4-dibromophenyl)-2,2-dimethylpropan-1-one
CID 107944461
2,4-dibromo-N-methylbenzamide
CID 54214948
4-bromo-N-(3,3-dimethyl-2-oxobutyl)-3-methylbenzamide
CID 112706643
2,4-dibromo-N-[(1-methylcyclopropyl)methyl]benzamide
CID 103883101

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(3,3-dimethyl-2-oxobutyl)benzamide?
The IUPAC name of 2,4-dibromo-N-(3,3-dimethyl-2-oxobutyl)benzamide (CID 103885609) is 2,4-dibromo-N-(3,3-dimethyl-2-oxobutyl)benzamide.
What is the SMILES notation for 2,4-dibromo-N-(3,3-dimethyl-2-oxobutyl)benzamide?
The canonical SMILES for 2,4-dibromo-N-(3,3-dimethyl-2-oxobutyl)benzamide is CC(C)(C)C(=O)CNC(=O)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-(3,3-dimethyl-2-oxobutyl)benzamide?
The InChIKey is QJLLWNSKIVUXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Br2NO2/c1-13(2,3)11(17)7-16-12(18)9-5-4-8(14)6-10(9)15/h4-6H,7H2,1-3H3,(H,16,18).
What are the key properties of 2,4-dibromo-N-(3,3-dimethyl-2-oxobutyl)benzamide?
2,4-dibromo-N-(3,3-dimethyl-2-oxobutyl)benzamide has a molecular weight of 377.08 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(3,3-dimethyl-2-oxobutyl)benzamide is sourced from PubChem (CID 103885609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).