N-(2-cyano-3-methylphenyl)-4-iodobenzamide

C15H11IN2O — CID 113241623

IUPACN-(2-cyano-3-methylphenyl)-4-iodobenzamide
SMILESCc1cccc(NC(=O)c2ccc(I)cc2)c1C#N
InChIInChI=1S/C15H11IN2O/c1-10-3-2-4-14(13(10)9-17)18-15(19)11-5-7-12(16)8-6-11/h2-8H,1H3,(H,18,19)
InChIKeyIFEJHBGMSUJAEC-UHFFFAOYSA-N
MW362.17 g/mol
LogP3.72
Rot. Bonds2

About N-(2-cyano-3-methylphenyl)-4-iodobenzamide

N-(2-cyano-3-methylphenyl)-4-iodobenzamide (PubChem CID 113241623) has the molecular formula C15H11IN2O and a molecular weight of 362.17 g/mol. Its IUPAC name is N-(2-cyano-3-methylphenyl)-4-iodobenzamide.

Molecular Properties

Compound NameN-(2-cyano-3-methylphenyl)-4-iodobenzamide
PubChem CID113241623
Molecular FormulaC15H11IN2O
Molecular Weight362.17 g/mol
Exact Mass361.99
IUPAC NameN-(2-cyano-3-methylphenyl)-4-iodobenzamide
SMILESCc1cccc(NC(=O)c2ccc(I)cc2)c1C#N
InChIInChI=1S/C15H11IN2O/c1-10-3-2-4-14(13(10)9-17)18-15(19)11-5-7-12(16)8-6-11/h2-8H,1H3,(H,18,19)
InChIKeyIFEJHBGMSUJAEC-UHFFFAOYSA-N
XLogP3.72
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.17
LogP ≤ 53.72
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

N-(2-cyano-3-methylphenyl)-3-hydroxybenzamide
CID 107799227
4-amino-3-chloro-N-(2-cyano-3-methylphenyl)benzamide
CID 107802373
2-bromo-N-(2-cyano-3-methylphenyl)-5-iodobenzamide
CID 106547457
N-(2-cyano-3-methylphenyl)-1-methylpyrazole-4-carboxamide
CID 114003192
6-[(2-cyano-3-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 107800327
N-(2-cyano-3-methylphenyl)-5-hydroxypyridine-3-carboxamide
CID 107799217
N-(2-cyano-3-methylphenyl)-3-hydroxy-2-methylbenzamide
CID 107799224
2-(2-cyano-3-methylanilino)-2-oxoacetic acid
CID 12715815
4-chloro-N-(2-cyano-3-methylphenyl)pyridine-3-carboxamide
CID 114003049
N-(2-cyano-3-methylphenyl)-2-hydrazinylpyridine-4-carboxamide
CID 107801443
N-(2-cyano-3-methylphenyl)-2-(methylamino)acetamide
CID 107804985
N-(2-cyano-3-fluorophenyl)-3-fluoro-4-methylbenzamide
CID 43580332

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-3-methylphenyl)-4-iodobenzamide?
The IUPAC name of N-(2-cyano-3-methylphenyl)-4-iodobenzamide (CID 113241623) is N-(2-cyano-3-methylphenyl)-4-iodobenzamide.
What is the SMILES notation for N-(2-cyano-3-methylphenyl)-4-iodobenzamide?
The canonical SMILES for N-(2-cyano-3-methylphenyl)-4-iodobenzamide is Cc1cccc(NC(=O)c2ccc(I)cc2)c1C#N.
What is the InChIKey of N-(2-cyano-3-methylphenyl)-4-iodobenzamide?
The InChIKey is IFEJHBGMSUJAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11IN2O/c1-10-3-2-4-14(13(10)9-17)18-15(19)11-5-7-12(16)8-6-11/h2-8H,1H3,(H,18,19).
What are the key properties of N-(2-cyano-3-methylphenyl)-4-iodobenzamide?
N-(2-cyano-3-methylphenyl)-4-iodobenzamide has a molecular weight of 362.17 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-3-methylphenyl)-4-iodobenzamide is sourced from PubChem (CID 113241623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).