N-(4-bromo-3,5-dimethylphenyl)-3-iodobenzamide

C15H13BrINO — CID 107574838

IUPACN-(4-bromo-3,5-dimethylphenyl)-3-iodobenzamide
SMILESCc1cc(NC(=O)c2cccc(I)c2)cc(C)c1Br
InChIInChI=1S/C15H13BrINO/c1-9-6-13(7-10(2)14(9)16)18-15(19)11-4-3-5-12(17)8-11/h3-8H,1-2H3,(H,18,19)
InChIKeyVBYDDEGMLXOLAX-UHFFFAOYSA-N
MW430.08 g/mol
LogP4.92
Rot. Bonds2

About N-(4-bromo-3,5-dimethylphenyl)-3-iodobenzamide

N-(4-bromo-3,5-dimethylphenyl)-3-iodobenzamide (PubChem CID 107574838) has the molecular formula C15H13BrINO and a molecular weight of 430.08 g/mol. Its IUPAC name is N-(4-bromo-3,5-dimethylphenyl)-3-iodobenzamide.

Molecular Properties

Compound NameN-(4-bromo-3,5-dimethylphenyl)-3-iodobenzamide
PubChem CID107574838
Molecular FormulaC15H13BrINO
Molecular Weight430.08 g/mol
Exact Mass428.92
IUPAC NameN-(4-bromo-3,5-dimethylphenyl)-3-iodobenzamide
SMILESCc1cc(NC(=O)c2cccc(I)c2)cc(C)c1Br
InChIInChI=1S/C15H13BrINO/c1-9-6-13(7-10(2)14(9)16)18-15(19)11-4-3-5-12(17)8-11/h3-8H,1-2H3,(H,18,19)
InChIKeyVBYDDEGMLXOLAX-UHFFFAOYSA-N
XLogP4.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.08
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(4-bromo-3,5-dimethylphenyl)-3-iodobenzamide 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

N-(3-bromo-5-methylphenyl)-3-iodobenzamide
CID 107583753
N-(4-bromo-3,5-dimethylphenyl)-3-methoxybenzamide
CID 107574824
N-(4-bromo-3,5-dimethylphenyl)-3-(chloromethyl)benzamide
CID 107573025
N-(5-bromo-2-methylphenyl)-3-iodobenzamide
CID 43806317
N-(4-amino-3-bromophenyl)-3-iodobenzamide
CID 82861642
N-(4-bromo-3,5-dimethylphenyl)pyridine-3-carboxamide
CID 106491097
N-(4-bromo-3,5-dimethylphenyl)-4-fluorobenzamide
CID 107573361
N-(2-bromophenyl)-3-iodobenzamide
CID 3258895
3-iodo-N-(4-propan-2-ylphenyl)benzamide
CID 1154174
3-iodo-N-pyrimidin-5-ylbenzamide
CID 104856856
N-(3-ethylphenyl)-3-iodobenzamide
CID 2591482
3-bromo-N-(4-bromo-3,5-dimethylphenyl)-2-methylbenzamide
CID 107575045

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3,5-dimethylphenyl)-3-iodobenzamide?
The IUPAC name of N-(4-bromo-3,5-dimethylphenyl)-3-iodobenzamide (CID 107574838) is N-(4-bromo-3,5-dimethylphenyl)-3-iodobenzamide.
What is the SMILES notation for N-(4-bromo-3,5-dimethylphenyl)-3-iodobenzamide?
The canonical SMILES for N-(4-bromo-3,5-dimethylphenyl)-3-iodobenzamide is Cc1cc(NC(=O)c2cccc(I)c2)cc(C)c1Br.
What is the InChIKey of N-(4-bromo-3,5-dimethylphenyl)-3-iodobenzamide?
The InChIKey is VBYDDEGMLXOLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrINO/c1-9-6-13(7-10(2)14(9)16)18-15(19)11-4-3-5-12(17)8-11/h3-8H,1-2H3,(H,18,19).
What are the key properties of N-(4-bromo-3,5-dimethylphenyl)-3-iodobenzamide?
N-(4-bromo-3,5-dimethylphenyl)-3-iodobenzamide has a molecular weight of 430.08 g/mol, XLogP of 4.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3,5-dimethylphenyl)-3-iodobenzamide is sourced from PubChem (CID 107574838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).