5-iodo-2-(4-iodo-2-methylanilino)benzamide

C14H12I2N2O — CID 142657189

IUPAC5-iodo-2-(4-iodo-2-methylanilino)benzamide
SMILESCc1cc(I)ccc1Nc1ccc(I)cc1C(N)=O
InChIInChI=1S/C14H12I2N2O/c1-8-6-9(15)2-4-12(8)18-13-5-3-10(16)7-11(13)14(17)19/h2-7,18H,1H3,(H2,17,19)
InChIKeyMCWLYUFDFJUCKR-UHFFFAOYSA-N
MW478.07 g/mol
LogP4.05
Rot. Bonds3

About 5-iodo-2-(4-iodo-2-methylanilino)benzamide

5-iodo-2-(4-iodo-2-methylanilino)benzamide (PubChem CID 142657189) has the molecular formula C14H12I2N2O and a molecular weight of 478.07 g/mol. Its IUPAC name is 5-iodo-2-(4-iodo-2-methylanilino)benzamide.

Molecular Properties

Compound Name5-iodo-2-(4-iodo-2-methylanilino)benzamide
PubChem CID142657189
Molecular FormulaC14H12I2N2O
Molecular Weight478.07 g/mol
Exact Mass477.90
IUPAC Name5-iodo-2-(4-iodo-2-methylanilino)benzamide
SMILESCc1cc(I)ccc1Nc1ccc(I)cc1C(N)=O
InChIInChI=1S/C14H12I2N2O/c1-8-6-9(15)2-4-12(8)18-13-5-3-10(16)7-11(13)14(17)19/h2-7,18H,1H3,(H2,17,19)
InChIKeyMCWLYUFDFJUCKR-UHFFFAOYSA-N
XLogP4.05
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.07
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-(5-iodo-2-methylanilino)pyridine-4-carboxamide
CID 114257930
2-hydroxy-5-iodo-N-(4-iodo-2-methylphenyl)benzamide
CID 86251688
N'-(4-iodo-2-methylphenyl)-N-methyloxamide
CID 47224837
1-(4-iodo-2-methylphenyl)-3-methylurea
CID 47127604
1-[3,4-difluoro-2-(4-iodo-2-methylanilino)phenyl]ethanone
CID 23526715
3-amino-2-(5-iodo-2-methylanilino)benzamide
CID 114257924
4,5-difluoro-N-(3-hydroxybutan-2-yloxy)-2-(4-iodo-2-methylanilino)benzamide
CID 87738648
N-(2,4-dimethylphenyl)acetamide;N-(4-iodo-2-methylphenyl)acetamide
CID 90975910
3-amino-N-(4-iodo-2-methylphenyl)-2-methylbenzamide
CID 78984651
N-hydroxy-2-(4-iodo-2-methylanilino)benzenesulfonamide
CID 54081464
4-iodo-2-methyl-N-(4-nitrophenyl)aniline
CID 4763873
N-(4-iodo-2-methylphenyl)-3-oxobutanamide
CID 61250967

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-(4-iodo-2-methylanilino)benzamide?
The IUPAC name of 5-iodo-2-(4-iodo-2-methylanilino)benzamide (CID 142657189) is 5-iodo-2-(4-iodo-2-methylanilino)benzamide.
What is the SMILES notation for 5-iodo-2-(4-iodo-2-methylanilino)benzamide?
The canonical SMILES for 5-iodo-2-(4-iodo-2-methylanilino)benzamide is Cc1cc(I)ccc1Nc1ccc(I)cc1C(N)=O.
What is the InChIKey of 5-iodo-2-(4-iodo-2-methylanilino)benzamide?
The InChIKey is MCWLYUFDFJUCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12I2N2O/c1-8-6-9(15)2-4-12(8)18-13-5-3-10(16)7-11(13)14(17)19/h2-7,18H,1H3,(H2,17,19).
What are the key properties of 5-iodo-2-(4-iodo-2-methylanilino)benzamide?
5-iodo-2-(4-iodo-2-methylanilino)benzamide has a molecular weight of 478.07 g/mol, XLogP of 4.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-(4-iodo-2-methylanilino)benzamide is sourced from PubChem (CID 142657189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).