2,4-dibromo-N-(1,3-dihydroxy-2-methylpropan-2-yl)benzamide

C11H13Br2NO3 — CID 104920704

IUPAC2,4-dibromo-N-(1,3-dihydroxy-2-methylpropan-2-yl)benzamide
SMILESCC(CO)(CO)NC(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C11H13Br2NO3/c1-11(5-15,6-16)14-10(17)8-3-2-7(12)4-9(8)13/h2-4,15-16H,5-6H2,1H3,(H,14,17)
InChIKeyLTOUEEDNYCYAAN-UHFFFAOYSA-N
MW367.04 g/mol
LogP1.68
Rot. Bonds4

About 2,4-dibromo-N-(1,3-dihydroxy-2-methylpropan-2-yl)benzamide

2,4-dibromo-N-(1,3-dihydroxy-2-methylpropan-2-yl)benzamide (PubChem CID 104920704) has the molecular formula C11H13Br2NO3 and a molecular weight of 367.04 g/mol. Its IUPAC name is 2,4-dibromo-N-(1,3-dihydroxy-2-methylpropan-2-yl)benzamide.

Molecular Properties

Compound Name2,4-dibromo-N-(1,3-dihydroxy-2-methylpropan-2-yl)benzamide
PubChem CID104920704
Molecular FormulaC11H13Br2NO3
Molecular Weight367.04 g/mol
Exact Mass364.93
IUPAC Name2,4-dibromo-N-(1,3-dihydroxy-2-methylpropan-2-yl)benzamide
SMILESCC(CO)(CO)NC(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C11H13Br2NO3/c1-11(5-15,6-16)14-10(17)8-3-2-7(12)4-9(8)13/h2-4,15-16H,5-6H2,1H3,(H,14,17)
InChIKeyLTOUEEDNYCYAAN-UHFFFAOYSA-N
XLogP1.68
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.04
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)-2,4-dibromobenzamide
CID 107940162
2,4-dibromo-N-(2-hydroxy-2-methylpropyl)benzamide
CID 103883047
2,4-dibromo-N-methylbenzamide
CID 54214948
2,4-dibromo-N-(3,3-dimethyl-2-oxobutyl)benzamide
CID 103885609
2-bromo-4-chloro-N-(1,3-dichloro-2-methylpropan-2-yl)benzamide
CID 107994107
4-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-2-iodobenzamide
CID 166624926
5-bromo-2-hydroxy-N-(3-methylpentan-3-yl)benzamide
CID 113235186
2-(4-bromo-2-methylphenyl)-N-(1,3-dihydroxy-2-methylpropan-2-yl)acetamide
CID 86798561
2,4-dibromo-N-[1-(tert-butylamino)-1-oxopropan-2-yl]benzamide
CID 103882644
1-(2,4-dibromophenyl)-2,2-dimethylpropan-1-one
CID 107944461
2,4-dibromo-N-(2-methoxyethyl)benzamide
CID 103882043
(2S)-2-[(2,4-dibromobenzoyl)amino]propanoic acid
CID 107937824

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(1,3-dihydroxy-2-methylpropan-2-yl)benzamide?
The IUPAC name of 2,4-dibromo-N-(1,3-dihydroxy-2-methylpropan-2-yl)benzamide (CID 104920704) is 2,4-dibromo-N-(1,3-dihydroxy-2-methylpropan-2-yl)benzamide.
What is the SMILES notation for 2,4-dibromo-N-(1,3-dihydroxy-2-methylpropan-2-yl)benzamide?
The canonical SMILES for 2,4-dibromo-N-(1,3-dihydroxy-2-methylpropan-2-yl)benzamide is CC(CO)(CO)NC(=O)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-(1,3-dihydroxy-2-methylpropan-2-yl)benzamide?
The InChIKey is LTOUEEDNYCYAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br2NO3/c1-11(5-15,6-16)14-10(17)8-3-2-7(12)4-9(8)13/h2-4,15-16H,5-6H2,1H3,(H,14,17).
What are the key properties of 2,4-dibromo-N-(1,3-dihydroxy-2-methylpropan-2-yl)benzamide?
2,4-dibromo-N-(1,3-dihydroxy-2-methylpropan-2-yl)benzamide has a molecular weight of 367.04 g/mol, XLogP of 1.68, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(1,3-dihydroxy-2-methylpropan-2-yl)benzamide is sourced from PubChem (CID 104920704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).