2-iodo-N-(4-iodophenyl)-4-methylbenzamide

C14H11I2NO — CID 100523539

IUPAC2-iodo-N-(4-iodophenyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(I)cc2)c(I)c1
InChIInChI=1S/C14H11I2NO/c1-9-2-7-12(13(16)8-9)14(18)17-11-5-3-10(15)4-6-11/h2-8H,1H3,(H,17,18)
InChIKeyUXISEQWIWLDMLS-UHFFFAOYSA-N
MW463.06 g/mol
LogP4.46
Rot. Bonds2

About 2-iodo-N-(4-iodophenyl)-4-methylbenzamide

2-iodo-N-(4-iodophenyl)-4-methylbenzamide (PubChem CID 100523539) has the molecular formula C14H11I2NO and a molecular weight of 463.06 g/mol. Its IUPAC name is 2-iodo-N-(4-iodophenyl)-4-methylbenzamide.

Molecular Properties

Compound Name2-iodo-N-(4-iodophenyl)-4-methylbenzamide
PubChem CID100523539
Molecular FormulaC14H11I2NO
Molecular Weight463.06 g/mol
Exact Mass462.89
IUPAC Name2-iodo-N-(4-iodophenyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(I)cc2)c(I)c1
InChIInChI=1S/C14H11I2NO/c1-9-2-7-12(13(16)8-9)14(18)17-11-5-3-10(15)4-6-11/h2-8H,1H3,(H,17,18)
InChIKeyUXISEQWIWLDMLS-UHFFFAOYSA-N
XLogP4.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.06
LogP ≤ 54.46
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

2-bromo-N-(4-iodophenyl)-5-methylbenzamide
CID 81109566
N-(3,4-dimethoxyphenyl)-2-iodo-4-methylbenzamide
CID 100523566
dimethyl 5-[(2-iodo-4-methylbenzoyl)amino]benzene-1,3-dicarboxylate
CID 100525954
[2-[(4-iodophenyl)carbamoyl]-4-methylphenyl] acetate
CID 129292859
2-iodo-N-(4-iodophenyl)benzamide
CID 3118704
N-(4-iodophenyl)-5-methyl-2-(propylamino)benzamide
CID 63499323
N-(2,6-difluorophenyl)-2-iodo-4-methylbenzamide
CID 100525588
1-N,2-N-bis(4-iodophenyl)benzene-1,2-dicarboxamide
CID 2852267
N-(3-ethoxyphenyl)-2-iodo-4-methylbenzamide
CID 100526929
2-[(4-iodophenyl)carbamoylamino]-5-methylbenzoic acid
CID 63549498
4-chloro-N-(3,5-dimethylphenyl)-2-iodobenzamide
CID 38898615
N-(4-iodophenyl)-2-methyl-5-sulfanylbenzamide
CID 107022114

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-(4-iodophenyl)-4-methylbenzamide?
The IUPAC name of 2-iodo-N-(4-iodophenyl)-4-methylbenzamide (CID 100523539) is 2-iodo-N-(4-iodophenyl)-4-methylbenzamide.
What is the SMILES notation for 2-iodo-N-(4-iodophenyl)-4-methylbenzamide?
The canonical SMILES for 2-iodo-N-(4-iodophenyl)-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(I)cc2)c(I)c1.
What is the InChIKey of 2-iodo-N-(4-iodophenyl)-4-methylbenzamide?
The InChIKey is UXISEQWIWLDMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11I2NO/c1-9-2-7-12(13(16)8-9)14(18)17-11-5-3-10(15)4-6-11/h2-8H,1H3,(H,17,18).
What are the key properties of 2-iodo-N-(4-iodophenyl)-4-methylbenzamide?
2-iodo-N-(4-iodophenyl)-4-methylbenzamide has a molecular weight of 463.06 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-(4-iodophenyl)-4-methylbenzamide is sourced from PubChem (CID 100523539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).