4-bromo-2-iodo-3-methylbenzamide

C8H7BrINO — CID 171033351

IUPAC4-bromo-2-iodo-3-methylbenzamide
SMILESCc1c(Br)ccc(C(N)=O)c1I
InChIInChI=1S/C8H7BrINO/c1-4-6(9)3-2-5(7(4)10)8(11)12/h2-3H,1H3,(H2,11,12)
InChIKeyPHLSDRSERNMZPF-UHFFFAOYSA-N
MW339.96 g/mol
LogP2.46
Rot. Bonds1

About 4-bromo-2-iodo-3-methylbenzamide

4-bromo-2-iodo-3-methylbenzamide (PubChem CID 171033351) has the molecular formula C8H7BrINO and a molecular weight of 339.96 g/mol. Its IUPAC name is 4-bromo-2-iodo-3-methylbenzamide.

Molecular Properties

Compound Name4-bromo-2-iodo-3-methylbenzamide
PubChem CID171033351
Molecular FormulaC8H7BrINO
Molecular Weight339.96 g/mol
Exact Mass338.88
IUPAC Name4-bromo-2-iodo-3-methylbenzamide
SMILESCc1c(Br)ccc(C(N)=O)c1I
InChIInChI=1S/C8H7BrINO/c1-4-6(9)3-2-5(7(4)10)8(11)12/h2-3H,1H3,(H2,11,12)
InChIKeyPHLSDRSERNMZPF-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'}

Analyze 4-bromo-2-iodo-3-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-diiodobenzene-1,4-dicarboxamide
CID 175130034
2-(4-bromo-2-iodo-3-methylphenyl)acetic acid
CID 171000935
2-amino-1-(4-bromo-2,3-dimethylphenyl)ethanone
CID 84801502
2-(4-bromo-2-iodo-3-methylphenyl)-1-(diaminomethylidene)guanidine
CID 168603883
2,3,4-trimethylbenzamide;hydrochloride
CID 67157686
3-fluoro-2,4-dimethylbenzamide
CID 119006165
7-bromo-2,3-dimethylindazole-4-carboxamide
CID 173096594
3-amino-2-iodobenzamide
CID 70101113
2,4-dimethylbenzene-1,3-dicarboxamide
CID 19767105
2-bromo-4-hydroxybenzamide
CID 103693582
4-bromo-2-fluoro-N-hydroxy-3-methylbenzamide
CID 131110604
4-bromo-2-ethyl-3-methylbenzoic acid
CID 23134201

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-iodo-3-methylbenzamide?
The IUPAC name of 4-bromo-2-iodo-3-methylbenzamide (CID 171033351) is 4-bromo-2-iodo-3-methylbenzamide.
What is the SMILES notation for 4-bromo-2-iodo-3-methylbenzamide?
The canonical SMILES for 4-bromo-2-iodo-3-methylbenzamide is Cc1c(Br)ccc(C(N)=O)c1I.
What is the InChIKey of 4-bromo-2-iodo-3-methylbenzamide?
The InChIKey is PHLSDRSERNMZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrINO/c1-4-6(9)3-2-5(7(4)10)8(11)12/h2-3H,1H3,(H2,11,12).
What are the key properties of 4-bromo-2-iodo-3-methylbenzamide?
4-bromo-2-iodo-3-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 4-bromo-2-iodo-3-methylbenzamide is sourced from PubChem (CID 171033351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).