2-bromo-N-(1-hydroxy-3-methylpentan-3-yl)-5-iodobenzamide

C13H17BrINO2 — CID 113368412

IUPAC2-bromo-N-(1-hydroxy-3-methylpentan-3-yl)-5-iodobenzamide
SMILESCCC(C)(CCO)NC(=O)c1cc(I)ccc1Br
InChIInChI=1S/C13H17BrINO2/c1-3-13(2,6-7-17)16-12(18)10-8-9(15)4-5-11(10)14/h4-5,8,17H,3,6-7H2,1-2H3,(H,16,18)
InChIKeyAQADOYVXYYCZBH-UHFFFAOYSA-N
MW426.09 g/mol
LogP3.33
Rot. Bonds5

About 2-bromo-N-(1-hydroxy-3-methylpentan-3-yl)-5-iodobenzamide

2-bromo-N-(1-hydroxy-3-methylpentan-3-yl)-5-iodobenzamide (PubChem CID 113368412) has the molecular formula C13H17BrINO2 and a molecular weight of 426.09 g/mol. Its IUPAC name is 2-bromo-N-(1-hydroxy-3-methylpentan-3-yl)-5-iodobenzamide.

Molecular Properties

Compound Name2-bromo-N-(1-hydroxy-3-methylpentan-3-yl)-5-iodobenzamide
PubChem CID113368412
Molecular FormulaC13H17BrINO2
Molecular Weight426.09 g/mol
Exact Mass424.95
IUPAC Name2-bromo-N-(1-hydroxy-3-methylpentan-3-yl)-5-iodobenzamide
SMILESCCC(C)(CCO)NC(=O)c1cc(I)ccc1Br
InChIInChI=1S/C13H17BrINO2/c1-3-13(2,6-7-17)16-12(18)10-8-9(15)4-5-11(10)14/h4-5,8,17H,3,6-7H2,1-2H3,(H,16,18)
InChIKeyAQADOYVXYYCZBH-UHFFFAOYSA-N
XLogP3.33
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.09
LogP ≤ 53.33
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

N-[3-(aminomethyl)pentan-3-yl]-2-bromo-5-iodobenzamide
CID 114026176
5-amino-2-bromo-N-(1-hydroxy-2-methylbutan-2-yl)benzamide
CID 64549076
3,5-dibromo-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 103946097
2-[(1-hydroxy-3-methylpentan-3-yl)carbamoyl]benzoic acid
CID 106167893
2,4,5-trifluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 110002324
2,4-difluoro-N-(1-hydroxy-3-methylpentan-3-yl)-5-methylbenzamide
CID 103945944
N-(1-hydroxy-3-methylpentan-3-yl)-2-methyl-5-sulfanylbenzamide
CID 106173286
2-chloro-N-(1-hydroxy-3-methylpentan-3-yl)-5-sulfanylbenzamide
CID 106173291
N-(2-amino-2-ethylbutyl)-2-bromo-5-iodobenzamide
CID 114026196
2-bromo-5-iodobenzohydrazide
CID 3623021
4-chloro-2-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 110002687
4-(dimethylamino)-2-fluoro-N-[(3R)-1-hydroxy-3-methylpentan-3-yl]benzamide
CID 97340435

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1-hydroxy-3-methylpentan-3-yl)-5-iodobenzamide?
The IUPAC name of 2-bromo-N-(1-hydroxy-3-methylpentan-3-yl)-5-iodobenzamide (CID 113368412) is 2-bromo-N-(1-hydroxy-3-methylpentan-3-yl)-5-iodobenzamide.
What is the SMILES notation for 2-bromo-N-(1-hydroxy-3-methylpentan-3-yl)-5-iodobenzamide?
The canonical SMILES for 2-bromo-N-(1-hydroxy-3-methylpentan-3-yl)-5-iodobenzamide is CCC(C)(CCO)NC(=O)c1cc(I)ccc1Br.
What is the InChIKey of 2-bromo-N-(1-hydroxy-3-methylpentan-3-yl)-5-iodobenzamide?
The InChIKey is AQADOYVXYYCZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrINO2/c1-3-13(2,6-7-17)16-12(18)10-8-9(15)4-5-11(10)14/h4-5,8,17H,3,6-7H2,1-2H3,(H,16,18).
What are the key properties of 2-bromo-N-(1-hydroxy-3-methylpentan-3-yl)-5-iodobenzamide?
2-bromo-N-(1-hydroxy-3-methylpentan-3-yl)-5-iodobenzamide has a molecular weight of 426.09 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1-hydroxy-3-methylpentan-3-yl)-5-iodobenzamide is sourced from PubChem (CID 113368412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).