2-bromo-4-iodo-N-methylbenzamide

C8H7BrINO — CID 155462102

IUPAC2-bromo-4-iodo-N-methylbenzamide
SMILESCNC(=O)c1ccc(I)cc1Br
InChIInChI=1S/C8H7BrINO/c1-11-8(12)6-3-2-5(10)4-7(6)9/h2-4H,1H3,(H,11,12)
InChIKeyLVQYENLLULHBFY-UHFFFAOYSA-N
MW339.96 g/mol
LogP2.41
Rot. Bonds1

About 2-bromo-4-iodo-N-methylbenzamide

2-bromo-4-iodo-N-methylbenzamide (PubChem CID 155462102) has the molecular formula C8H7BrINO and a molecular weight of 339.96 g/mol. Its IUPAC name is 2-bromo-4-iodo-N-methylbenzamide.

Molecular Properties

Compound Name2-bromo-4-iodo-N-methylbenzamide
PubChem CID155462102
Molecular FormulaC8H7BrINO
Molecular Weight339.96 g/mol
Exact Mass338.88
IUPAC Name2-bromo-4-iodo-N-methylbenzamide
SMILESCNC(=O)c1ccc(I)cc1Br
InChIInChI=1S/C8H7BrINO/c1-11-8(12)6-3-2-5(10)4-7(6)9/h2-4H,1H3,(H,11,12)
InChIKeyLVQYENLLULHBFY-UHFFFAOYSA-N
XLogP2.41
TPSA29.10 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 ≤ 52.41
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

2,4-dibromo-N-methylbenzamide
CID 54214948
2,5-diiodo-N-methylbenzamide
CID 131072416
2-bromo-N-(2-bromo-4-iodophenyl)-4-methylbenzamide
CID 114259017
2-amino-3-bromo-5-iodo-N-methylbenzamide
CID 169154899
2-bromo-1-(2-bromo-4-iodophenyl)propan-1-one
CID 118838052
4-iodo-N-methyl-2-(2-methylprop-2-enoyl)benzamide
CID 150916314
2-bromo-4-chloro-N-(2-chloro-4-iodophenyl)benzamide
CID 114024506
2-bromo-5-iodo-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 103995758
4-bromo-N-methyl-2,1,3-benzothiadiazole-7-carboxamide
CID 59409553
azetidin-1-yl-(2-bromo-4-iodophenyl)methanone
CID 172647054
2-bromo-5-iodobenzohydrazide
CID 3623021
5-iodo-N-methyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 171920509

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-iodo-N-methylbenzamide?
The IUPAC name of 2-bromo-4-iodo-N-methylbenzamide (CID 155462102) is 2-bromo-4-iodo-N-methylbenzamide.
What is the SMILES notation for 2-bromo-4-iodo-N-methylbenzamide?
The canonical SMILES for 2-bromo-4-iodo-N-methylbenzamide is CNC(=O)c1ccc(I)cc1Br.
What is the InChIKey of 2-bromo-4-iodo-N-methylbenzamide?
The InChIKey is LVQYENLLULHBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrINO/c1-11-8(12)6-3-2-5(10)4-7(6)9/h2-4H,1H3,(H,11,12).
What are the key properties of 2-bromo-4-iodo-N-methylbenzamide?
2-bromo-4-iodo-N-methylbenzamide has a molecular weight of 339.96 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-iodo-N-methylbenzamide is sourced from PubChem (CID 155462102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).