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

C14H10BrI2NO — CID 103600330

IUPAC5-bromo-2-iodo-N-(4-iodo-2-methylphenyl)benzamide
SMILESCc1cc(I)ccc1NC(=O)c1cc(Br)ccc1I
InChIInChI=1S/C14H10BrI2NO/c1-8-6-10(16)3-5-13(8)18-14(19)11-7-9(15)2-4-12(11)17/h2-7H,1H3,(H,18,19)
InChIKeyAVAUXZVSQRVSIR-UHFFFAOYSA-N
MW541.95 g/mol
LogP5.22
Rot. Bonds2

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

5-bromo-2-iodo-N-(4-iodo-2-methylphenyl)benzamide (PubChem CID 103600330) has the molecular formula C14H10BrI2NO and a molecular weight of 541.95 g/mol. Its IUPAC name is 5-bromo-2-iodo-N-(4-iodo-2-methylphenyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-iodo-N-(4-iodo-2-methylphenyl)benzamide
PubChem CID103600330
Molecular FormulaC14H10BrI2NO
Molecular Weight541.95 g/mol
Exact Mass540.80
IUPAC Name5-bromo-2-iodo-N-(4-iodo-2-methylphenyl)benzamide
SMILESCc1cc(I)ccc1NC(=O)c1cc(Br)ccc1I
InChIInChI=1S/C14H10BrI2NO/c1-8-6-10(16)3-5-13(8)18-14(19)11-7-9(15)2-4-12(11)17/h2-7H,1H3,(H,18,19)
InChIKeyAVAUXZVSQRVSIR-UHFFFAOYSA-N
XLogP5.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.95
LogP ≤ 55.22
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-N-(4-iodo-2-methylphenyl)-2-methylbenzamide
CID 65311639
5-bromo-2-iodo-N-(2-methylphenyl)benzamide
CID 1368072
N-(4-bromo-2-methylphenyl)-2-chloro-5-iodobenzamide
CID 3480421
4-bromo-N-(4-iodo-2-methylphenyl)benzamide
CID 1379401
6-bromo-N-(4-iodo-2-methylphenyl)-2-oxochromene-3-carboxamide
CID 19171684
4-bromo-N-(4-bromo-2-methylphenyl)-2-methylbenzamide
CID 43629933
2-[(5-bromo-2-methylbenzoyl)amino]-5-iodobenzoic acid
CID 65307924
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-2-iodo-N-(3-iodophenyl)benzamide
CID 103600021
4-bromo-N-(2-chloro-4-iodophenyl)-2-methylbenzamide
CID 107606789
2-[(4-bromo-2-methylbenzoyl)amino]-5-iodobenzoic acid
CID 63405749

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-iodo-N-(4-iodo-2-methylphenyl)benzamide?
The IUPAC name of 5-bromo-2-iodo-N-(4-iodo-2-methylphenyl)benzamide (CID 103600330) is 5-bromo-2-iodo-N-(4-iodo-2-methylphenyl)benzamide.
What is the SMILES notation for 5-bromo-2-iodo-N-(4-iodo-2-methylphenyl)benzamide?
The canonical SMILES for 5-bromo-2-iodo-N-(4-iodo-2-methylphenyl)benzamide is Cc1cc(I)ccc1NC(=O)c1cc(Br)ccc1I.
What is the InChIKey of 5-bromo-2-iodo-N-(4-iodo-2-methylphenyl)benzamide?
The InChIKey is AVAUXZVSQRVSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrI2NO/c1-8-6-10(16)3-5-13(8)18-14(19)11-7-9(15)2-4-12(11)17/h2-7H,1H3,(H,18,19).
What are the key properties of 5-bromo-2-iodo-N-(4-iodo-2-methylphenyl)benzamide?
5-bromo-2-iodo-N-(4-iodo-2-methylphenyl)benzamide has a molecular weight of 541.95 g/mol, XLogP of 5.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-iodo-N-(4-iodo-2-methylphenyl)benzamide is sourced from PubChem (CID 103600330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).