3-chloro-N-(5-iodo-2-pyridinyl)-2-methylbenzamide

C13H10ClIN2O — CID 107096909

IUPAC3-chloro-N-(5-iodo-2-pyridinyl)-2-methylbenzamide
SMILESCc1c(Cl)cccc1C(=O)Nc1ccc(I)cn1
InChIInChI=1S/C13H10ClIN2O/c1-8-10(3-2-4-11(8)14)13(18)17-12-6-5-9(15)7-16-12/h2-7H,1H3,(H,16,17,18)
InChIKeyGXKRIRQDEKHFML-UHFFFAOYSA-N
MW372.59 g/mol
LogP3.90
Rot. Bonds2

About 3-chloro-N-(5-iodo-2-pyridinyl)-2-methylbenzamide

3-chloro-N-(5-iodo-2-pyridinyl)-2-methylbenzamide (PubChem CID 107096909) has the molecular formula C13H10ClIN2O and a molecular weight of 372.59 g/mol. Its IUPAC name is 3-chloro-N-(5-iodo-2-pyridinyl)-2-methylbenzamide.

Molecular Properties

Compound Name3-chloro-N-(5-iodo-2-pyridinyl)-2-methylbenzamide
PubChem CID107096909
Molecular FormulaC13H10ClIN2O
Molecular Weight372.59 g/mol
Exact Mass371.95
IUPAC Name3-chloro-N-(5-iodo-2-pyridinyl)-2-methylbenzamide
SMILESCc1c(Cl)cccc1C(=O)Nc1ccc(I)cn1
InChIInChI=1S/C13H10ClIN2O/c1-8-10(3-2-4-11(8)14)13(18)17-12-6-5-9(15)7-16-12/h2-7H,1H3,(H,16,17,18)
InChIKeyGXKRIRQDEKHFML-UHFFFAOYSA-N
XLogP3.90
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.59
LogP ≤ 53.90
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

2,6-dichloro-N-(5-iodo-2-pyridinyl)benzamide
CID 23440185
N-(5-bromo-4-methyl-2-pyridinyl)-3-chloro-2-methylbenzamide
CID 107096916
3-chloro-N-(5-iodo-2-methylphenyl)-2-methylbenzamide
CID 114257023
1-(2-chlorophenyl)-3-(5-iodo-2-pyridinyl)urea
CID 65098518
N-(5-iodo-2-pyridinyl)-5-methylfuran-2-carboxamide
CID 65098645
2-chloro-N-(5-iodo-2-pyridinyl)-6-methylpyrimidine-4-carboxamide
CID 114219747
3-chloro-N-(6-fluoro-3-pyridinyl)-2-methylbenzamide
CID 107143571
3,5-dichloro-N-(5-iodo-2-pyridinyl)benzamide
CID 65098988
5-[(3-chloro-2-methylbenzoyl)amino]pyridine-2-carboxylic acid
CID 107096027
N-(5-acetamido-2-pyridinyl)-2-chlorobenzamide
CID 1449171
2-chloro-N-(5-iodo-3-methyl-2-pyridinyl)benzamide
CID 21216463
2-iodo-3-methyl-N-(5-methyl-2-pyridinyl)benzamide
CID 39718566

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(5-iodo-2-pyridinyl)-2-methylbenzamide?
The IUPAC name of 3-chloro-N-(5-iodo-2-pyridinyl)-2-methylbenzamide (CID 107096909) is 3-chloro-N-(5-iodo-2-pyridinyl)-2-methylbenzamide.
What is the SMILES notation for 3-chloro-N-(5-iodo-2-pyridinyl)-2-methylbenzamide?
The canonical SMILES for 3-chloro-N-(5-iodo-2-pyridinyl)-2-methylbenzamide is Cc1c(Cl)cccc1C(=O)Nc1ccc(I)cn1.
What is the InChIKey of 3-chloro-N-(5-iodo-2-pyridinyl)-2-methylbenzamide?
The InChIKey is GXKRIRQDEKHFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClIN2O/c1-8-10(3-2-4-11(8)14)13(18)17-12-6-5-9(15)7-16-12/h2-7H,1H3,(H,16,17,18).
What are the key properties of 3-chloro-N-(5-iodo-2-pyridinyl)-2-methylbenzamide?
3-chloro-N-(5-iodo-2-pyridinyl)-2-methylbenzamide has a molecular weight of 372.59 g/mol, XLogP of 3.90, 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-iodo-2-pyridinyl)-2-methylbenzamide is sourced from PubChem (CID 107096909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).