3,5-dibromo-N-(4-bromo-2-iodophenyl)-2-methoxybenzamide

C14H9Br3INO2 — CID 3452845

IUPAC3,5-dibromo-N-(4-bromo-2-iodophenyl)-2-methoxybenzamide
SMILESCOc1c(Br)cc(Br)cc1C(=O)Nc1ccc(Br)cc1I
InChIInChI=1S/C14H9Br3INO2/c1-21-13-9(4-8(16)5-10(13)17)14(20)19-12-3-2-7(15)6-11(12)18/h2-6H,1H3,(H,19,20)
InChIKeyXQGHHACMMFSTEZ-UHFFFAOYSA-N
MW589.85 g/mol
LogP5.84
Rot. Bonds3

About 3,5-dibromo-N-(4-bromo-2-iodophenyl)-2-methoxybenzamide

3,5-dibromo-N-(4-bromo-2-iodophenyl)-2-methoxybenzamide (PubChem CID 3452845) has the molecular formula C14H9Br3INO2 and a molecular weight of 589.85 g/mol. Its IUPAC name is 3,5-dibromo-N-(4-bromo-2-iodophenyl)-2-methoxybenzamide.

Molecular Properties

Compound Name3,5-dibromo-N-(4-bromo-2-iodophenyl)-2-methoxybenzamide
PubChem CID3452845
Molecular FormulaC14H9Br3INO2
Molecular Weight589.85 g/mol
Exact Mass586.72
IUPAC Name3,5-dibromo-N-(4-bromo-2-iodophenyl)-2-methoxybenzamide
SMILESCOc1c(Br)cc(Br)cc1C(=O)Nc1ccc(Br)cc1I
InChIInChI=1S/C14H9Br3INO2/c1-21-13-9(4-8(16)5-10(13)17)14(20)19-12-3-2-7(15)6-11(12)18/h2-6H,1H3,(H,19,20)
InChIKeyXQGHHACMMFSTEZ-UHFFFAOYSA-N
XLogP5.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.85
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-(4-bromo-2-iodophenyl)-2-methoxybenzamide
CID 4660639
3,5-dibromo-N-[4-[(3,5-dibromo-2-methoxybenzoyl)amino]phenyl]-2-methoxybenzamide
CID 5142163
3,5-dibromo-N-(2,4-dichlorophenyl)-2-methoxybenzamide
CID 17111223
3,5-dibromo-2-methoxy-N-(2-methoxyphenyl)benzamide
CID 3948715
3,5-dibromo-N-(2-chlorophenyl)-2-methoxybenzamide
CID 22777208
N-(2-aminophenyl)-3,5-dibromo-2-methoxybenzamide
CID 91687679
3-bromo-N-(4-bromo-2-iodophenyl)-4-methoxybenzamide
CID 3325521
3,5-dibromo-N-(3-chlorophenyl)-2-methoxybenzamide
CID 3324491
4-bromo-N-(4-bromo-2-iodophenyl)benzamide
CID 3934518
5-bromo-2-iodo-N-(3,4,5-trimethoxyphenyl)benzamide
CID 34749976
3,5-dibromo-N-[2-chloro-5-(propanoylamino)phenyl]-2-methoxybenzamide
CID 17117679
5-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)-2-fluorobenzamide
CID 35206912

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-(4-bromo-2-iodophenyl)-2-methoxybenzamide?
The IUPAC name of 3,5-dibromo-N-(4-bromo-2-iodophenyl)-2-methoxybenzamide (CID 3452845) is 3,5-dibromo-N-(4-bromo-2-iodophenyl)-2-methoxybenzamide.
What is the SMILES notation for 3,5-dibromo-N-(4-bromo-2-iodophenyl)-2-methoxybenzamide?
The canonical SMILES for 3,5-dibromo-N-(4-bromo-2-iodophenyl)-2-methoxybenzamide is COc1c(Br)cc(Br)cc1C(=O)Nc1ccc(Br)cc1I.
What is the InChIKey of 3,5-dibromo-N-(4-bromo-2-iodophenyl)-2-methoxybenzamide?
The InChIKey is XQGHHACMMFSTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br3INO2/c1-21-13-9(4-8(16)5-10(13)17)14(20)19-12-3-2-7(15)6-11(12)18/h2-6H,1H3,(H,19,20).
What are the key properties of 3,5-dibromo-N-(4-bromo-2-iodophenyl)-2-methoxybenzamide?
3,5-dibromo-N-(4-bromo-2-iodophenyl)-2-methoxybenzamide has a molecular weight of 589.85 g/mol, XLogP of 5.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-(4-bromo-2-iodophenyl)-2-methoxybenzamide is sourced from PubChem (CID 3452845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).