5-chloro-2-iodo-N-methyl-N-pyridin-3-ylbenzamide

C13H10ClIN2O — CID 113236277

IUPAC5-chloro-2-iodo-N-methyl-N-pyridin-3-ylbenzamide
SMILESCN(C(=O)c1cc(Cl)ccc1I)c1cccnc1
InChIInChI=1S/C13H10ClIN2O/c1-17(10-3-2-6-16-8-10)13(18)11-7-9(14)4-5-12(11)15/h2-8H,1H3
InChIKeyWJDFXDXDTRUELL-UHFFFAOYSA-N
MW372.59 g/mol
LogP3.62
Rot. Bonds2

About 5-chloro-2-iodo-N-methyl-N-pyridin-3-ylbenzamide

5-chloro-2-iodo-N-methyl-N-pyridin-3-ylbenzamide (PubChem CID 113236277) has the molecular formula C13H10ClIN2O and a molecular weight of 372.59 g/mol. Its IUPAC name is 5-chloro-2-iodo-N-methyl-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name5-chloro-2-iodo-N-methyl-N-pyridin-3-ylbenzamide
PubChem CID113236277
Molecular FormulaC13H10ClIN2O
Molecular Weight372.59 g/mol
Exact Mass371.95
IUPAC Name5-chloro-2-iodo-N-methyl-N-pyridin-3-ylbenzamide
SMILESCN(C(=O)c1cc(Cl)ccc1I)c1cccnc1
InChIInChI=1S/C13H10ClIN2O/c1-17(10-3-2-6-16-8-10)13(18)11-7-9(14)4-5-12(11)15/h2-8H,1H3
InChIKeyWJDFXDXDTRUELL-UHFFFAOYSA-N
XLogP3.62
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.59
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-(2-fluorophenyl)-2-iodo-N-methylbenzamide
CID 113230081
5-chloro-2-iodo-N-pyridin-3-ylbenzamide
CID 47188812
N-methyl-N-pyridin-3-ylcarbamoyl chloride
CID 115194564
5-chloro-N-methyl-2-(methylamino)-N-phenylbenzamide
CID 55042648
3-chloro-N-methyl-N-phenylpyridine-4-carboxamide
CID 66463019
5-(4-chlorobenzoyl)-N,1,4-trimethyl-N-pyridin-3-ylpyrrole-2-carboxamide
CID 67611102
5-chloro-N-ethyl-2-methoxy-N-pyridin-3-ylbenzamide
CID 56827227
N,6-dimethyl-4-(methylamino)-N-pyridin-3-ylpyridine-3-carboxamide
CID 81242111
3-amino-5-bromo-N,2-dimethyl-N-pyridin-3-ylbenzamide
CID 107872797
2-(3-chlorophenoxy)-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide
CID 130330750
2-(3-hydroxyprop-1-ynyl)-N,5-dimethyl-N-pyridin-3-ylbenzamide
CID 81112487
4-chloro-2-fluoro-N-methyl-N-phenylbenzamide
CID 56919945

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-iodo-N-methyl-N-pyridin-3-ylbenzamide?
The IUPAC name of 5-chloro-2-iodo-N-methyl-N-pyridin-3-ylbenzamide (CID 113236277) is 5-chloro-2-iodo-N-methyl-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 5-chloro-2-iodo-N-methyl-N-pyridin-3-ylbenzamide?
The canonical SMILES for 5-chloro-2-iodo-N-methyl-N-pyridin-3-ylbenzamide is CN(C(=O)c1cc(Cl)ccc1I)c1cccnc1.
What is the InChIKey of 5-chloro-2-iodo-N-methyl-N-pyridin-3-ylbenzamide?
The InChIKey is WJDFXDXDTRUELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClIN2O/c1-17(10-3-2-6-16-8-10)13(18)11-7-9(14)4-5-12(11)15/h2-8H,1H3.
What are the key properties of 5-chloro-2-iodo-N-methyl-N-pyridin-3-ylbenzamide?
5-chloro-2-iodo-N-methyl-N-pyridin-3-ylbenzamide has a molecular weight of 372.59 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-iodo-N-methyl-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 113236277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).