4-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-2-iodobenzamide

C11H13BrINO2 — CID 166624926

IUPAC4-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-2-iodobenzamide
SMILESCC(C)(CO)NC(=O)c1ccc(Br)cc1I
InChIInChI=1S/C11H13BrINO2/c1-11(2,6-15)14-10(16)8-4-3-7(12)5-9(8)13/h3-5,15H,6H2,1-2H3,(H,14,16)
InChIKeyMRIWGPRAJAZUCD-UHFFFAOYSA-N
MW398.04 g/mol
LogP2.55
Rot. Bonds3

About 4-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-2-iodobenzamide

4-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-2-iodobenzamide (PubChem CID 166624926) has the molecular formula C11H13BrINO2 and a molecular weight of 398.04 g/mol. Its IUPAC name is 4-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-2-iodobenzamide.

Molecular Properties

Compound Name4-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-2-iodobenzamide
PubChem CID166624926
Molecular FormulaC11H13BrINO2
Molecular Weight398.04 g/mol
Exact Mass396.92
IUPAC Name4-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-2-iodobenzamide
SMILESCC(C)(CO)NC(=O)c1ccc(Br)cc1I
InChIInChI=1S/C11H13BrINO2/c1-11(2,6-15)14-10(16)8-4-3-7(12)5-9(8)13/h3-5,15H,6H2,1-2H3,(H,14,16)
InChIKeyMRIWGPRAJAZUCD-UHFFFAOYSA-N
XLogP2.55
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.04
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2,4-dibromo-N-(1,3-dihydroxy-2-methylpropan-2-yl)benzamide
CID 104920704
5-bromo-N-[3-(hydroxymethyl)pentan-3-yl]-2-iodobenzamide
CID 62522095
4-bromo-N-(1-bromo-2-methylpropan-2-yl)-2-fluorobenzamide
CID 114308107
2-bromo-5-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 14002103
2,4-dichloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 821745
N-(1-amino-2-methylpropan-2-yl)-4-bromo-2-fluorobenzamide
CID 63193839
5-bromo-N-(1-bromo-2-methylpropan-2-yl)-2-hydroxybenzamide
CID 107730406
4-bromo-2-methoxy-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 115369210
4-bromo-2-methoxy-N-(2-methylbutan-2-yl)benzamide
CID 78987462
2-amino-5-bromo-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-3-carboxamide
CID 155213563
1-(5-bromo-2-methylphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea
CID 110894507
4-bromo-N-[2-(4-bromophenyl)propan-2-yl]-2-fluorobenzamide
CID 63524757

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-2-iodobenzamide?
The IUPAC name of 4-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-2-iodobenzamide (CID 166624926) is 4-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-2-iodobenzamide.
What is the SMILES notation for 4-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-2-iodobenzamide?
The canonical SMILES for 4-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-2-iodobenzamide is CC(C)(CO)NC(=O)c1ccc(Br)cc1I.
What is the InChIKey of 4-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-2-iodobenzamide?
The InChIKey is MRIWGPRAJAZUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrINO2/c1-11(2,6-15)14-10(16)8-4-3-7(12)5-9(8)13/h3-5,15H,6H2,1-2H3,(H,14,16).
What are the key properties of 4-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-2-iodobenzamide?
4-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-2-iodobenzamide has a molecular weight of 398.04 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-2-iodobenzamide is sourced from PubChem (CID 166624926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).