5-bromo-N-(4-iodo-2-methylphenyl)-2-methylbenzamide

C15H13BrINO — CID 65311639

IUPAC5-bromo-N-(4-iodo-2-methylphenyl)-2-methylbenzamide
SMILESCc1cc(I)ccc1NC(=O)c1cc(Br)ccc1C
InChIInChI=1S/C15H13BrINO/c1-9-3-4-11(16)8-13(9)15(19)18-14-6-5-12(17)7-10(14)2/h3-8H,1-2H3,(H,18,19)
InChIKeyHXYNXAUXOHHKLV-UHFFFAOYSA-N
MW430.08 g/mol
LogP4.92
Rot. Bonds2

About 5-bromo-N-(4-iodo-2-methylphenyl)-2-methylbenzamide

5-bromo-N-(4-iodo-2-methylphenyl)-2-methylbenzamide (PubChem CID 65311639) has the molecular formula C15H13BrINO and a molecular weight of 430.08 g/mol. Its IUPAC name is 5-bromo-N-(4-iodo-2-methylphenyl)-2-methylbenzamide.

Molecular Properties

Compound Name5-bromo-N-(4-iodo-2-methylphenyl)-2-methylbenzamide
PubChem CID65311639
Molecular FormulaC15H13BrINO
Molecular Weight430.08 g/mol
Exact Mass428.92
IUPAC Name5-bromo-N-(4-iodo-2-methylphenyl)-2-methylbenzamide
SMILESCc1cc(I)ccc1NC(=O)c1cc(Br)ccc1C
InChIInChI=1S/C15H13BrINO/c1-9-3-4-11(16)8-13(9)15(19)18-14-6-5-12(17)7-10(14)2/h3-8H,1-2H3,(H,18,19)
InChIKeyHXYNXAUXOHHKLV-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'}

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Related Compounds

5-bromo-2-iodo-N-(4-iodo-2-methylphenyl)benzamide
CID 103600330
2-[(5-bromo-2-methylbenzoyl)amino]-5-iodobenzoic acid
CID 65307924
N-(4-bromo-2-methylphenyl)-2-chloro-5-iodobenzamide
CID 3480421
4-bromo-N-(4-iodo-2-methylphenyl)benzamide
CID 1379401
5-bromo-2-methyl-N-(2-methylphenyl)benzamide
CID 65307068
N-(4-bromo-2-methylphenyl)-5-fluoro-2-methylbenzamide
CID 60705568
6-bromo-N-(4-iodo-2-methylphenyl)-2-oxochromene-3-carboxamide
CID 19171684
5-bromo-N-(3-iodophenyl)-2-methylbenzamide
CID 65308257
4-bromo-N-(4-bromo-2-methylphenyl)-2-methylbenzamide
CID 43629933
5-bromo-N-(4-bromo-2-methylphenyl)-2-chlorobenzamide
CID 3480420
2-hydroxy-5-iodo-N-(4-iodo-2-methylphenyl)benzamide
CID 86251688
5-bromo-N-(5-fluoro-2-methylphenyl)-2-methylbenzamide
CID 65307346

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-iodo-2-methylphenyl)-2-methylbenzamide?
The IUPAC name of 5-bromo-N-(4-iodo-2-methylphenyl)-2-methylbenzamide (CID 65311639) is 5-bromo-N-(4-iodo-2-methylphenyl)-2-methylbenzamide.
What is the SMILES notation for 5-bromo-N-(4-iodo-2-methylphenyl)-2-methylbenzamide?
The canonical SMILES for 5-bromo-N-(4-iodo-2-methylphenyl)-2-methylbenzamide is Cc1cc(I)ccc1NC(=O)c1cc(Br)ccc1C.
What is the InChIKey of 5-bromo-N-(4-iodo-2-methylphenyl)-2-methylbenzamide?
The InChIKey is HXYNXAUXOHHKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrINO/c1-9-3-4-11(16)8-13(9)15(19)18-14-6-5-12(17)7-10(14)2/h3-8H,1-2H3,(H,18,19).
What are the key properties of 5-bromo-N-(4-iodo-2-methylphenyl)-2-methylbenzamide?
5-bromo-N-(4-iodo-2-methylphenyl)-2-methylbenzamide 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 5-bromo-N-(4-iodo-2-methylphenyl)-2-methylbenzamide is sourced from PubChem (CID 65311639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).