N-(3-bromo-5-methylphenyl)-3-iodobenzamide

C14H11BrINO — CID 107583753

IUPACN-(3-bromo-5-methylphenyl)-3-iodobenzamide
SMILESCc1cc(Br)cc(NC(=O)c2cccc(I)c2)c1
InChIInChI=1S/C14H11BrINO/c1-9-5-11(15)8-13(6-9)17-14(18)10-3-2-4-12(16)7-10/h2-8H,1H3,(H,17,18)
InChIKeyZHOZDQKVHKIDJM-UHFFFAOYSA-N
MW416.06 g/mol
LogP4.61
Rot. Bonds2

About N-(3-bromo-5-methylphenyl)-3-iodobenzamide

N-(3-bromo-5-methylphenyl)-3-iodobenzamide (PubChem CID 107583753) has the molecular formula C14H11BrINO and a molecular weight of 416.06 g/mol. Its IUPAC name is N-(3-bromo-5-methylphenyl)-3-iodobenzamide.

Molecular Properties

Compound NameN-(3-bromo-5-methylphenyl)-3-iodobenzamide
PubChem CID107583753
Molecular FormulaC14H11BrINO
Molecular Weight416.06 g/mol
Exact Mass414.91
IUPAC NameN-(3-bromo-5-methylphenyl)-3-iodobenzamide
SMILESCc1cc(Br)cc(NC(=O)c2cccc(I)c2)c1
InChIInChI=1S/C14H11BrINO/c1-9-5-11(15)8-13(6-9)17-14(18)10-3-2-4-12(16)7-10/h2-8H,1H3,(H,17,18)
InChIKeyZHOZDQKVHKIDJM-UHFFFAOYSA-N
XLogP4.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.06
LogP ≤ 54.61
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

3-bromo-N-(3-bromo-5-methylphenyl)benzamide
CID 107583869
N-(4-bromo-3,5-dimethylphenyl)-3-iodobenzamide
CID 107574838
N-(5-bromo-2-methylphenyl)-3-iodobenzamide
CID 43806317
4-bromo-N-(3-bromo-5-methylphenyl)-3-methylbenzamide
CID 107583817
N-(3-bromo-5-methylphenyl)-2-iodo-3-methylbenzamide
CID 114030738
N-(3-bromo-5-methylphenyl)-4-tert-butylbenzamide
CID 84512530
N-(3-bromo-5-methylphenyl)-3-chloro-4-methylbenzamide
CID 107583928
N-(4-amino-3-bromophenyl)-3-iodobenzamide
CID 82861642
N-(2-bromophenyl)-3-iodobenzamide
CID 3258895
N-(3,5-dimethylphenyl)-3-sulfanylbenzamide
CID 107021223
3-iodo-N-(4-propan-2-ylphenyl)benzamide
CID 1154174
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-3-iodobenzamide
CID 100513322

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methylphenyl)-3-iodobenzamide?
The IUPAC name of N-(3-bromo-5-methylphenyl)-3-iodobenzamide (CID 107583753) is N-(3-bromo-5-methylphenyl)-3-iodobenzamide.
What is the SMILES notation for N-(3-bromo-5-methylphenyl)-3-iodobenzamide?
The canonical SMILES for N-(3-bromo-5-methylphenyl)-3-iodobenzamide is Cc1cc(Br)cc(NC(=O)c2cccc(I)c2)c1.
What is the InChIKey of N-(3-bromo-5-methylphenyl)-3-iodobenzamide?
The InChIKey is ZHOZDQKVHKIDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrINO/c1-9-5-11(15)8-13(6-9)17-14(18)10-3-2-4-12(16)7-10/h2-8H,1H3,(H,17,18).
What are the key properties of N-(3-bromo-5-methylphenyl)-3-iodobenzamide?
N-(3-bromo-5-methylphenyl)-3-iodobenzamide has a molecular weight of 416.06 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-methylphenyl)-3-iodobenzamide is sourced from PubChem (CID 107583753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).