2-chloro-N-(5-iodo-3-methyl-2-pyridinyl)benzamide

C13H10ClIN2O — CID 21216463

IUPAC2-chloro-N-(5-iodo-3-methyl-2-pyridinyl)benzamide
SMILESCc1cc(I)cnc1NC(=O)c1ccccc1Cl
InChIInChI=1S/C13H10ClIN2O/c1-8-6-9(15)7-16-12(8)17-13(18)10-4-2-3-5-11(10)14/h2-7H,1H3,(H,16,17,18)
InChIKeyOIDBEHIICYNQEE-UHFFFAOYSA-N
MW372.59 g/mol
LogP3.90
Rot. Bonds2

About 2-chloro-N-(5-iodo-3-methyl-2-pyridinyl)benzamide

2-chloro-N-(5-iodo-3-methyl-2-pyridinyl)benzamide (PubChem CID 21216463) has the molecular formula C13H10ClIN2O and a molecular weight of 372.59 g/mol. Its IUPAC name is 2-chloro-N-(5-iodo-3-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(5-iodo-3-methyl-2-pyridinyl)benzamide
PubChem CID21216463
Molecular FormulaC13H10ClIN2O
Molecular Weight372.59 g/mol
Exact Mass371.95
IUPAC Name2-chloro-N-(5-iodo-3-methyl-2-pyridinyl)benzamide
SMILESCc1cc(I)cnc1NC(=O)c1ccccc1Cl
InChIInChI=1S/C13H10ClIN2O/c1-8-6-9(15)7-16-12(8)17-13(18)10-4-2-3-5-11(10)14/h2-7H,1H3,(H,16,17,18)
InChIKeyOIDBEHIICYNQEE-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

2,3-dichloro-N-[(5-iodo-3-methyl-2-pyridinyl)carbamothioyl]benzamide
CID 21216561
N-(5-iodo-3-methyl-2-pyridinyl)-4-propan-2-ylbenzamide
CID 21216437
N-(5-amino-3-methyl-2-pyridinyl)-2-iodobenzamide
CID 112555395
N-(5-bromo-3-methyl-2-pyridinyl)-2-chloro-4-methylbenzamide
CID 106509648
3-chloro-N-(5-iodo-2-pyridinyl)-2-methylbenzamide
CID 107096909
2-chloro-N-[4-[4-[(2-chlorobenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide
CID 2313060
N-(5-amino-3-methyl-2-pyridinyl)-2,5-dichlorobenzamide
CID 112555309
N-(3-chloro-2-pyridinyl)-2-iodo-3-methylbenzamide
CID 103943532
N-[(5-iodo-3-methyl-2-pyridinyl)carbamothioyl]-3-methoxynaphthalene-2-carboxamide
CID 21216515
N-[(5-iodo-3-methyl-2-pyridinyl)carbamothioyl]-2,6-dimethoxybenzamide
CID 21216550
N-(5-bromo-3-methyl-2-pyridinyl)-4-chloropyridine-3-carboxamide
CID 83166694
2-chloro-N-(4-hydroxy-2,6-dimethylphenyl)benzamide
CID 706333

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-iodo-3-methyl-2-pyridinyl)benzamide?
The IUPAC name of 2-chloro-N-(5-iodo-3-methyl-2-pyridinyl)benzamide (CID 21216463) is 2-chloro-N-(5-iodo-3-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 2-chloro-N-(5-iodo-3-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 2-chloro-N-(5-iodo-3-methyl-2-pyridinyl)benzamide is Cc1cc(I)cnc1NC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(5-iodo-3-methyl-2-pyridinyl)benzamide?
The InChIKey is OIDBEHIICYNQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClIN2O/c1-8-6-9(15)7-16-12(8)17-13(18)10-4-2-3-5-11(10)14/h2-7H,1H3,(H,16,17,18).
What are the key properties of 2-chloro-N-(5-iodo-3-methyl-2-pyridinyl)benzamide?
2-chloro-N-(5-iodo-3-methyl-2-pyridinyl)benzamide 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 2-chloro-N-(5-iodo-3-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 21216463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).