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

C11H13Br2NO2 — CID 103883047

IUPAC2,4-dibromo-N-(2-hydroxy-2-methylpropyl)benzamide
SMILESCC(C)(O)CNC(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C11H13Br2NO2/c1-11(2,16)6-14-10(15)8-4-3-7(12)5-9(8)13/h3-5,16H,6H2,1-2H3,(H,14,15)
InChIKeyDXCYHSXVMPXWLB-UHFFFAOYSA-N
MW351.04 g/mol
LogP2.71
Rot. Bonds3

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

2,4-dibromo-N-(2-hydroxy-2-methylpropyl)benzamide (PubChem CID 103883047) has the molecular formula C11H13Br2NO2 and a molecular weight of 351.04 g/mol. Its IUPAC name is 2,4-dibromo-N-(2-hydroxy-2-methylpropyl)benzamide.

Molecular Properties

Compound Name2,4-dibromo-N-(2-hydroxy-2-methylpropyl)benzamide
PubChem CID103883047
Molecular FormulaC11H13Br2NO2
Molecular Weight351.04 g/mol
Exact Mass348.93
IUPAC Name2,4-dibromo-N-(2-hydroxy-2-methylpropyl)benzamide
SMILESCC(C)(O)CNC(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C11H13Br2NO2/c1-11(2,16)6-14-10(15)8-4-3-7(12)5-9(8)13/h3-5,16H,6H2,1-2H3,(H,14,15)
InChIKeyDXCYHSXVMPXWLB-UHFFFAOYSA-N
XLogP2.71
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.04
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-hydroxy-N-(2-hydroxy-2-methylpropyl)benzamide
CID 65110103
2,4-dibromo-N-(2-ethoxy-2-methylpropyl)benzamide
CID 105343041
2,4-dibromo-N-(3,3-dimethyl-2-oxobutyl)benzamide
CID 103885609
2,4-dibromo-N-(2-methoxyethyl)benzamide
CID 103882043
3-bromo-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide
CID 131049000
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
2,4-dibromo-N-methylbenzamide
CID 54214948
2,4-dibromo-N-(3-methyl-2-oxobutyl)benzamide
CID 104860776
4-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methylbenzamide
CID 103839610
2,4-dihydroxy-N-(2-hydroxy-2-methylpropyl)benzamide
CID 65110545

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(2-hydroxy-2-methylpropyl)benzamide?
The IUPAC name of 2,4-dibromo-N-(2-hydroxy-2-methylpropyl)benzamide (CID 103883047) is 2,4-dibromo-N-(2-hydroxy-2-methylpropyl)benzamide.
What is the SMILES notation for 2,4-dibromo-N-(2-hydroxy-2-methylpropyl)benzamide?
The canonical SMILES for 2,4-dibromo-N-(2-hydroxy-2-methylpropyl)benzamide is CC(C)(O)CNC(=O)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-(2-hydroxy-2-methylpropyl)benzamide?
The InChIKey is DXCYHSXVMPXWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br2NO2/c1-11(2,16)6-14-10(15)8-4-3-7(12)5-9(8)13/h3-5,16H,6H2,1-2H3,(H,14,15).
What are the key properties of 2,4-dibromo-N-(2-hydroxy-2-methylpropyl)benzamide?
2,4-dibromo-N-(2-hydroxy-2-methylpropyl)benzamide has a molecular weight of 351.04 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(2-hydroxy-2-methylpropyl)benzamide is sourced from PubChem (CID 103883047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).