4-bromo-N-(4-iodo-2-methylphenyl)benzamide

C14H11BrINO — CID 1379401

IUPAC4-bromo-N-(4-iodo-2-methylphenyl)benzamide
SMILESCc1cc(I)ccc1NC(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H11BrINO/c1-9-8-12(16)6-7-13(9)17-14(18)10-2-4-11(15)5-3-10/h2-8H,1H3,(H,17,18)
InChIKeyUMOGHQMNSOUAEO-UHFFFAOYSA-N
MW416.06 g/mol
LogP4.61
Rot. Bonds2

About 4-bromo-N-(4-iodo-2-methylphenyl)benzamide

4-bromo-N-(4-iodo-2-methylphenyl)benzamide (PubChem CID 1379401) has the molecular formula C14H11BrINO and a molecular weight of 416.06 g/mol. Its IUPAC name is 4-bromo-N-(4-iodo-2-methylphenyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(4-iodo-2-methylphenyl)benzamide
PubChem CID1379401
Molecular FormulaC14H11BrINO
Molecular Weight416.06 g/mol
Exact Mass414.91
IUPAC Name4-bromo-N-(4-iodo-2-methylphenyl)benzamide
SMILESCc1cc(I)ccc1NC(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H11BrINO/c1-9-8-12(16)6-7-13(9)17-14(18)10-2-4-11(15)5-3-10/h2-8H,1H3,(H,17,18)
InChIKeyUMOGHQMNSOUAEO-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

4-(bromomethyl)-N-(4-iodo-2-methylphenyl)benzamide
CID 102851138
5-bromo-N-(4-iodo-2-methylphenyl)-2-methylbenzamide
CID 65311639
4-bromo-N-(2-chloro-4-iodophenyl)benzamide
CID 47183104
5-bromo-2-iodo-N-(4-iodo-2-methylphenyl)benzamide
CID 103600330
4-fluoro-N-(4-iodo-2-methylphenyl)-3-methylbenzamide
CID 63213134
N-(4-iodo-2-methylphenyl)-4-(methanesulfonamido)benzamide
CID 1249872
4-ethoxy-N-(4-iodo-2-methylphenyl)benzamide
CID 1350175
N-(4-iodo-2-methylphenyl)-4-(methylsulfamoyl)benzamide
CID 55407314
4-bromo-N-(4-bromo-2-iodophenyl)benzamide
CID 3934518
N-(4-fluoro-2-methylphenyl)-4-iodobenzamide
CID 7980558
N-(4-bromo-2-methylphenyl)-3,4-dimethylbenzamide
CID 789005
4-bromo-N-(4-ethoxy-2-methylphenyl)benzamide
CID 47267913

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-iodo-2-methylphenyl)benzamide?
The IUPAC name of 4-bromo-N-(4-iodo-2-methylphenyl)benzamide (CID 1379401) is 4-bromo-N-(4-iodo-2-methylphenyl)benzamide.
What is the SMILES notation for 4-bromo-N-(4-iodo-2-methylphenyl)benzamide?
The canonical SMILES for 4-bromo-N-(4-iodo-2-methylphenyl)benzamide is Cc1cc(I)ccc1NC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(4-iodo-2-methylphenyl)benzamide?
The InChIKey is UMOGHQMNSOUAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrINO/c1-9-8-12(16)6-7-13(9)17-14(18)10-2-4-11(15)5-3-10/h2-8H,1H3,(H,17,18).
What are the key properties of 4-bromo-N-(4-iodo-2-methylphenyl)benzamide?
4-bromo-N-(4-iodo-2-methylphenyl)benzamide 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 4-bromo-N-(4-iodo-2-methylphenyl)benzamide is sourced from PubChem (CID 1379401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).