2-iodo-N-(5-iodo-2-methylphenyl)-3-methylbenzamide

C15H13I2NO — CID 114257116

IUPAC2-iodo-N-(5-iodo-2-methylphenyl)-3-methylbenzamide
SMILESCc1ccc(I)cc1NC(=O)c1cccc(C)c1I
InChIInChI=1S/C15H13I2NO/c1-9-6-7-11(16)8-13(9)18-15(19)12-5-3-4-10(2)14(12)17/h3-8H,1-2H3,(H,18,19)
InChIKeyOJGZHNBXXFQAKH-UHFFFAOYSA-N
MW477.08 g/mol
LogP4.76
Rot. Bonds2

About 2-iodo-N-(5-iodo-2-methylphenyl)-3-methylbenzamide

2-iodo-N-(5-iodo-2-methylphenyl)-3-methylbenzamide (PubChem CID 114257116) has the molecular formula C15H13I2NO and a molecular weight of 477.08 g/mol. Its IUPAC name is 2-iodo-N-(5-iodo-2-methylphenyl)-3-methylbenzamide.

Molecular Properties

Compound Name2-iodo-N-(5-iodo-2-methylphenyl)-3-methylbenzamide
PubChem CID114257116
Molecular FormulaC15H13I2NO
Molecular Weight477.08 g/mol
Exact Mass476.91
IUPAC Name2-iodo-N-(5-iodo-2-methylphenyl)-3-methylbenzamide
SMILESCc1ccc(I)cc1NC(=O)c1cccc(C)c1I
InChIInChI=1S/C15H13I2NO/c1-9-6-7-11(16)8-13(9)18-15(19)12-5-3-4-10(2)14(12)17/h3-8H,1-2H3,(H,18,19)
InChIKeyOJGZHNBXXFQAKH-UHFFFAOYSA-N
XLogP4.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.08
LogP ≤ 54.76
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

3-chloro-N-(5-iodo-2-methylphenyl)-2-methylbenzamide
CID 114257023
N-(4-amino-2-methylphenyl)-2-iodo-3-methylbenzamide
CID 103807583
N-(2-bromo-5-methylphenyl)-2-iodo-3-methylbenzamide
CID 103867045
2-iodo-3-methyl-N-(2-methylsulfanylphenyl)benzamide
CID 47188193
4-chloro-N-(5-iodo-2-methylphenyl)-2-methylbenzamide
CID 114257099
2-[(2-hydroxy-3-methylbenzoyl)amino]-5-iodobenzoic acid
CID 63405359
2-[(2-fluoro-3-methylbenzoyl)amino]-5-iodobenzoic acid
CID 81480850
2-iodo-3-methyl-N-(4-methyl-1H-pyrazol-5-yl)benzamide
CID 113236904
N-(3-bromo-5-methylphenyl)-2-iodo-3-methylbenzamide
CID 114030738
N-(2-fluoro-4-iodophenyl)-2-methylbenzamide
CID 17102074
N-(5-fluoro-2-methylphenyl)-2,3-dimethylbenzamide
CID 7777709
N-(2-fluoro-5-methoxyphenyl)-2-iodo-3-methylbenzamide
CID 103747463

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-(5-iodo-2-methylphenyl)-3-methylbenzamide?
The IUPAC name of 2-iodo-N-(5-iodo-2-methylphenyl)-3-methylbenzamide (CID 114257116) is 2-iodo-N-(5-iodo-2-methylphenyl)-3-methylbenzamide.
What is the SMILES notation for 2-iodo-N-(5-iodo-2-methylphenyl)-3-methylbenzamide?
The canonical SMILES for 2-iodo-N-(5-iodo-2-methylphenyl)-3-methylbenzamide is Cc1ccc(I)cc1NC(=O)c1cccc(C)c1I.
What is the InChIKey of 2-iodo-N-(5-iodo-2-methylphenyl)-3-methylbenzamide?
The InChIKey is OJGZHNBXXFQAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13I2NO/c1-9-6-7-11(16)8-13(9)18-15(19)12-5-3-4-10(2)14(12)17/h3-8H,1-2H3,(H,18,19).
What are the key properties of 2-iodo-N-(5-iodo-2-methylphenyl)-3-methylbenzamide?
2-iodo-N-(5-iodo-2-methylphenyl)-3-methylbenzamide has a molecular weight of 477.08 g/mol, XLogP of 4.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-(5-iodo-2-methylphenyl)-3-methylbenzamide is sourced from PubChem (CID 114257116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).