3-chloro-N-(2,6-dimethyl-3-pyridinyl)-4-iodobenzamide

C14H12ClIN2O — CID 113253959

IUPAC3-chloro-N-(2,6-dimethyl-3-pyridinyl)-4-iodobenzamide
SMILESCc1ccc(NC(=O)c2ccc(I)c(Cl)c2)c(C)n1
InChIInChI=1S/C14H12ClIN2O/c1-8-3-6-13(9(2)17-8)18-14(19)10-4-5-12(16)11(15)7-10/h3-7H,1-2H3,(H,18,19)
InChIKeyLPQOFYWXLJEIHV-UHFFFAOYSA-N
MW386.62 g/mol
LogP4.21
Rot. Bonds2

About 3-chloro-N-(2,6-dimethyl-3-pyridinyl)-4-iodobenzamide

3-chloro-N-(2,6-dimethyl-3-pyridinyl)-4-iodobenzamide (PubChem CID 113253959) has the molecular formula C14H12ClIN2O and a molecular weight of 386.62 g/mol. Its IUPAC name is 3-chloro-N-(2,6-dimethyl-3-pyridinyl)-4-iodobenzamide.

Molecular Properties

Compound Name3-chloro-N-(2,6-dimethyl-3-pyridinyl)-4-iodobenzamide
PubChem CID113253959
Molecular FormulaC14H12ClIN2O
Molecular Weight386.62 g/mol
Exact Mass385.97
IUPAC Name3-chloro-N-(2,6-dimethyl-3-pyridinyl)-4-iodobenzamide
SMILESCc1ccc(NC(=O)c2ccc(I)c(Cl)c2)c(C)n1
InChIInChI=1S/C14H12ClIN2O/c1-8-3-6-13(9(2)17-8)18-14(19)10-4-5-12(16)11(15)7-10/h3-7H,1-2H3,(H,18,19)
InChIKeyLPQOFYWXLJEIHV-UHFFFAOYSA-N
XLogP4.21
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.62
LogP ≤ 54.21
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

3-chloro-N-(1,3-dimethylpyrazol-4-yl)-4-iodobenzamide
CID 113251749
3-chloro-N-(3-hydroxy-2,4-dimethylphenyl)-4-iodobenzamide
CID 103828130
3-chloro-4-iodo-N-(2,4,5-trichlorophenyl)benzamide
CID 103220934
2-chloro-N-(2,6-dimethyl-3-pyridinyl)-5-hydroxybenzamide
CID 106501987
3-chloro-4-iodo-N-(2-methylsulfanylphenyl)benzamide
CID 103221338
3-chloro-4-iodo-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 103736115
3-chloro-4-iodo-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 103734754
3-chloro-4-iodo-N-(2,4,6-triiodophenyl)benzamide
CID 103221386
N-(4-amino-2,6-dimethylphenyl)-3-chloro-4-iodobenzamide
CID 103218767
3-chloro-N-(5-cyano-2-methylphenyl)-4-iodobenzamide
CID 103736029
3-chloro-N-(2-ethoxy-4-methylphenyl)-4-iodobenzamide
CID 103221306
N-(2,6-dimethyl-3-pyridinyl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712568

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2,6-dimethyl-3-pyridinyl)-4-iodobenzamide?
The IUPAC name of 3-chloro-N-(2,6-dimethyl-3-pyridinyl)-4-iodobenzamide (CID 113253959) is 3-chloro-N-(2,6-dimethyl-3-pyridinyl)-4-iodobenzamide.
What is the SMILES notation for 3-chloro-N-(2,6-dimethyl-3-pyridinyl)-4-iodobenzamide?
The canonical SMILES for 3-chloro-N-(2,6-dimethyl-3-pyridinyl)-4-iodobenzamide is Cc1ccc(NC(=O)c2ccc(I)c(Cl)c2)c(C)n1.
What is the InChIKey of 3-chloro-N-(2,6-dimethyl-3-pyridinyl)-4-iodobenzamide?
The InChIKey is LPQOFYWXLJEIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClIN2O/c1-8-3-6-13(9(2)17-8)18-14(19)10-4-5-12(16)11(15)7-10/h3-7H,1-2H3,(H,18,19).
What are the key properties of 3-chloro-N-(2,6-dimethyl-3-pyridinyl)-4-iodobenzamide?
3-chloro-N-(2,6-dimethyl-3-pyridinyl)-4-iodobenzamide has a molecular weight of 386.62 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2,6-dimethyl-3-pyridinyl)-4-iodobenzamide is sourced from PubChem (CID 113253959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).