2-bromo-3-iodo-6-methylbenzamide

C8H7BrINO — CID 171033336

IUPAC2-bromo-3-iodo-6-methylbenzamide
SMILESCc1ccc(I)c(Br)c1C(N)=O
InChIInChI=1S/C8H7BrINO/c1-4-2-3-5(10)7(9)6(4)8(11)12/h2-3H,1H3,(H2,11,12)
InChIKeyXXDZOFVKSKQEIH-UHFFFAOYSA-N
MW339.96 g/mol
LogP2.46
Rot. Bonds1

About 2-bromo-3-iodo-6-methylbenzamide

2-bromo-3-iodo-6-methylbenzamide (PubChem CID 171033336) has the molecular formula C8H7BrINO and a molecular weight of 339.96 g/mol. Its IUPAC name is 2-bromo-3-iodo-6-methylbenzamide.

Molecular Properties

Compound Name2-bromo-3-iodo-6-methylbenzamide
PubChem CID171033336
Molecular FormulaC8H7BrINO
Molecular Weight339.96 g/mol
Exact Mass338.88
IUPAC Name2-bromo-3-iodo-6-methylbenzamide
SMILESCc1ccc(I)c(Br)c1C(N)=O
InChIInChI=1S/C8H7BrINO/c1-4-2-3-5(10)7(9)6(4)8(11)12/h2-3H,1H3,(H2,11,12)
InChIKeyXXDZOFVKSKQEIH-UHFFFAOYSA-N
XLogP2.46
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.96
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-3-iodo-6-methylbenzoic acid
CID 131271867
3-chloro-2-iodo-6-methylbenzamide
CID 171003854
2-hydroxy-3,6-dimethylbenzamide
CID 82266966
2-bromo-1-(2-bromo-6-iodo-3-methylphenyl)ethanone
CID 171033506
1-(2-bromo-6-hydroxy-3-iodophenyl)ethanone
CID 131384005
2,4-dimethylbenzene-1,3-dicarboxamide
CID 19767105
2-bromo-3-iodo-6-methylbenzenesulfonamide
CID 171033362
6-chloro-2-iodo-3-methylbenzamide
CID 171003803
4-bromo-3-iodo-5-methylbenzamide
CID 171033354
2-acetyl-6-iodo-3-methylbenzaldehyde
CID 171015712
2,4,6-triiodo-3-methylbenzamide
CID 175316367
2,6-dimethyl-3-nitrobenzamide
CID 118992531

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-iodo-6-methylbenzamide?
The IUPAC name of 2-bromo-3-iodo-6-methylbenzamide (CID 171033336) is 2-bromo-3-iodo-6-methylbenzamide.
What is the SMILES notation for 2-bromo-3-iodo-6-methylbenzamide?
The canonical SMILES for 2-bromo-3-iodo-6-methylbenzamide is Cc1ccc(I)c(Br)c1C(N)=O.
What is the InChIKey of 2-bromo-3-iodo-6-methylbenzamide?
The InChIKey is XXDZOFVKSKQEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrINO/c1-4-2-3-5(10)7(9)6(4)8(11)12/h2-3H,1H3,(H2,11,12).
What are the key properties of 2-bromo-3-iodo-6-methylbenzamide?
2-bromo-3-iodo-6-methylbenzamide has a molecular weight of 339.96 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-iodo-6-methylbenzamide is sourced from PubChem (CID 171033336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).