3-chloro-N-(5-cyano-2-methylphenyl)-4-iodobenzamide

C15H10ClIN2O — CID 103736029

IUPAC3-chloro-N-(5-cyano-2-methylphenyl)-4-iodobenzamide
SMILESCc1ccc(C#N)cc1NC(=O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C15H10ClIN2O/c1-9-2-3-10(8-18)6-14(9)19-15(20)11-4-5-13(17)12(16)7-11/h2-7H,1H3,(H,19,20)
InChIKeyLDNXMBAKRYBESX-UHFFFAOYSA-N
MW396.62 g/mol
LogP4.38
Rot. Bonds2

About 3-chloro-N-(5-cyano-2-methylphenyl)-4-iodobenzamide

3-chloro-N-(5-cyano-2-methylphenyl)-4-iodobenzamide (PubChem CID 103736029) has the molecular formula C15H10ClIN2O and a molecular weight of 396.62 g/mol. Its IUPAC name is 3-chloro-N-(5-cyano-2-methylphenyl)-4-iodobenzamide.

Molecular Properties

Compound Name3-chloro-N-(5-cyano-2-methylphenyl)-4-iodobenzamide
PubChem CID103736029
Molecular FormulaC15H10ClIN2O
Molecular Weight396.62 g/mol
Exact Mass395.95
IUPAC Name3-chloro-N-(5-cyano-2-methylphenyl)-4-iodobenzamide
SMILESCc1ccc(C#N)cc1NC(=O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C15H10ClIN2O/c1-9-2-3-10(8-18)6-14(9)19-15(20)11-4-5-13(17)12(16)7-11/h2-7H,1H3,(H,19,20)
InChIKeyLDNXMBAKRYBESX-UHFFFAOYSA-N
XLogP4.38
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.62
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-chloro-N-(5-cyano-2-methylphenyl)-4-iodobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-N-(5-cyano-2-methylphenyl)benzamide
CID 47475839
N-(5-cyano-2-methylphenyl)-3-fluoro-4-methylbenzamide
CID 47475953
6-chloro-N-(5-cyano-2-methylphenyl)pyridine-3-carboxamide
CID 47475855
2,6-dichloro-N-(5-cyano-2-methylphenyl)benzamide
CID 62105070
3-chloro-N-(5-cyano-2-methylphenyl)thiophene-2-carboxamide
CID 80644972
N-(5-chloro-2-methylphenyl)-3-cyanobenzamide
CID 7719573
3-chloro-N-(3-hydroxy-2,4-dimethylphenyl)-4-iodobenzamide
CID 103828130
5-bromo-2-chloro-N-(5-cyano-2-methylphenyl)benzamide
CID 47475858
6-bromo-N-(5-cyano-2-methylphenyl)pyridine-3-carboxamide
CID 66464924
N-(5-cyano-2-methylphenyl)-1H-indazole-6-carboxamide
CID 62907539
N-(4-cyanophenyl)-3-iodo-4-methylbenzamide
CID 3409554
5-chloro-N-(5-cyano-2-methylphenyl)thiophene-2-carboxamide
CID 55037313

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(5-cyano-2-methylphenyl)-4-iodobenzamide?
The IUPAC name of 3-chloro-N-(5-cyano-2-methylphenyl)-4-iodobenzamide (CID 103736029) is 3-chloro-N-(5-cyano-2-methylphenyl)-4-iodobenzamide.
What is the SMILES notation for 3-chloro-N-(5-cyano-2-methylphenyl)-4-iodobenzamide?
The canonical SMILES for 3-chloro-N-(5-cyano-2-methylphenyl)-4-iodobenzamide is Cc1ccc(C#N)cc1NC(=O)c1ccc(I)c(Cl)c1.
What is the InChIKey of 3-chloro-N-(5-cyano-2-methylphenyl)-4-iodobenzamide?
The InChIKey is LDNXMBAKRYBESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClIN2O/c1-9-2-3-10(8-18)6-14(9)19-15(20)11-4-5-13(17)12(16)7-11/h2-7H,1H3,(H,19,20).
What are the key properties of 3-chloro-N-(5-cyano-2-methylphenyl)-4-iodobenzamide?
3-chloro-N-(5-cyano-2-methylphenyl)-4-iodobenzamide has a molecular weight of 396.62 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(5-cyano-2-methylphenyl)-4-iodobenzamide is sourced from PubChem (CID 103736029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).