4-fluoro-N-(2-iodo-4-methylphenyl)benzamide

C14H11FINO — CID 531959

IUPAC4-fluoro-N-(2-iodo-4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(F)cc2)c(I)c1
InChIInChI=1S/C14H11FINO/c1-9-2-7-13(12(16)8-9)17-14(18)10-3-5-11(15)6-4-10/h2-8H,1H3,(H,17,18)
InChIKeyVTNPUTIHPWGLBN-UHFFFAOYSA-N
MW355.15 g/mol
LogP3.99
Rot. Bonds2

About 4-fluoro-N-(2-iodo-4-methylphenyl)benzamide

4-fluoro-N-(2-iodo-4-methylphenyl)benzamide (PubChem CID 531959) has the molecular formula C14H11FINO and a molecular weight of 355.15 g/mol. Its IUPAC name is 4-fluoro-N-(2-iodo-4-methylphenyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(2-iodo-4-methylphenyl)benzamide
PubChem CID531959
Molecular FormulaC14H11FINO
Molecular Weight355.15 g/mol
Exact Mass354.99
IUPAC Name4-fluoro-N-(2-iodo-4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(F)cc2)c(I)c1
InChIInChI=1S/C14H11FINO/c1-9-2-7-13(12(16)8-9)17-14(18)10-3-5-11(15)6-4-10/h2-8H,1H3,(H,17,18)
InChIKeyVTNPUTIHPWGLBN-UHFFFAOYSA-N
XLogP3.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.15
LogP ≤ 53.99
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

4-fluoro-N-(4-fluoro-2-iodophenyl)benzamide
CID 79768923
N-(4-fluoro-2-iodophenyl)-4-iodobenzamide
CID 79767050
4-cyano-N-(2-iodo-4-methylphenyl)benzamide
CID 53308928
4-N-(2,4-dimethylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049592
N-(4-fluoro-2-iodophenyl)-4-methylsulfanylbenzamide
CID 79766642
4-fluoro-N-(2-iodophenyl)benzamide
CID 687036
N-(4-fluoro-2-iodophenyl)-4-methylsulfonylbenzamide
CID 79758879
N-(4-fluoro-2-iodophenyl)-3-hydroxy-4-methylbenzamide
CID 79766392
N-(2-fluoro-5-methylphenyl)-4-methylbenzamide
CID 7718843
4-fluoro-N-(3-iodo-2-methylphenyl)benzamide
CID 113368778
N-(4-fluoro-2-methylphenyl)-4-iodobenzamide
CID 7980558
N-(2,4-dimethylphenyl)-4-methylbenzamide
CID 774370

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-iodo-4-methylphenyl)benzamide?
The IUPAC name of 4-fluoro-N-(2-iodo-4-methylphenyl)benzamide (CID 531959) is 4-fluoro-N-(2-iodo-4-methylphenyl)benzamide.
What is the SMILES notation for 4-fluoro-N-(2-iodo-4-methylphenyl)benzamide?
The canonical SMILES for 4-fluoro-N-(2-iodo-4-methylphenyl)benzamide is Cc1ccc(NC(=O)c2ccc(F)cc2)c(I)c1.
What is the InChIKey of 4-fluoro-N-(2-iodo-4-methylphenyl)benzamide?
The InChIKey is VTNPUTIHPWGLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FINO/c1-9-2-7-13(12(16)8-9)17-14(18)10-3-5-11(15)6-4-10/h2-8H,1H3,(H,17,18).
What are the key properties of 4-fluoro-N-(2-iodo-4-methylphenyl)benzamide?
4-fluoro-N-(2-iodo-4-methylphenyl)benzamide has a molecular weight of 355.15 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-iodo-4-methylphenyl)benzamide is sourced from PubChem (CID 531959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).