2,5-dichloro-N-(5-iodo-6-methyl-2-pyridinyl)benzamide

C13H9Cl2IN2O — CID 19631637

IUPAC2,5-dichloro-N-(5-iodo-6-methyl-2-pyridinyl)benzamide
SMILESCc1nc(NC(=O)c2cc(Cl)ccc2Cl)ccc1I
InChIInChI=1S/C13H9Cl2IN2O/c1-7-11(16)4-5-12(17-7)18-13(19)9-6-8(14)2-3-10(9)15/h2-6H,1H3,(H,17,18,19)
InChIKeyHEBLACWQBWFUFN-UHFFFAOYSA-N
MW407.04 g/mol
LogP4.55
Rot. Bonds2

About 2,5-dichloro-N-(5-iodo-6-methyl-2-pyridinyl)benzamide

2,5-dichloro-N-(5-iodo-6-methyl-2-pyridinyl)benzamide (PubChem CID 19631637) has the molecular formula C13H9Cl2IN2O and a molecular weight of 407.04 g/mol. Its IUPAC name is 2,5-dichloro-N-(5-iodo-6-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-(5-iodo-6-methyl-2-pyridinyl)benzamide
PubChem CID19631637
Molecular FormulaC13H9Cl2IN2O
Molecular Weight407.04 g/mol
Exact Mass405.91
IUPAC Name2,5-dichloro-N-(5-iodo-6-methyl-2-pyridinyl)benzamide
SMILESCc1nc(NC(=O)c2cc(Cl)ccc2Cl)ccc1I
InChIInChI=1S/C13H9Cl2IN2O/c1-7-11(16)4-5-12(17-7)18-13(19)9-6-8(14)2-3-10(9)15/h2-6H,1H3,(H,17,18,19)
InChIKeyHEBLACWQBWFUFN-UHFFFAOYSA-N
XLogP4.55
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.04
LogP ≤ 54.55
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

5-(2,5-dichlorophenyl)-N-[(5-iodo-6-methyl-2-pyridinyl)carbamothioyl]furan-2-carboxamide
CID 17316537
N-(5-bromo-6-methyl-2-pyridinyl)-2-chloro-5-iodobenzamide
CID 4509262
2,5-dichloro-N-(6-chloro-2-pyridinyl)benzamide
CID 115683172
3-chloro-N-(5-iodo-6-methyl-2-pyridinyl)-4-methoxybenzamide
CID 1296785
(2S)-2-(2,4-dichlorophenoxy)-N-(5-iodo-6-methyl-2-pyridinyl)propanamide
CID 2233489
2,5-dichloro-N-(4,6-dimethylpyrimidin-2-yl)benzamide
CID 670750
5-chloro-N-(6-chloropyridazin-3-yl)-2-iodobenzamide
CID 113235172
2-chloro-5-iodo-N-(6-methyl-2-pyridinyl)benzamide
CID 1347930
5-chloro-N-(2,4-dimethylphenyl)-2-iodobenzamide
CID 38885805
2,5-dichloro-N-(3,5-dimethylphenyl)benzamide
CID 965625
3-chloro-N-(5-iodo-6-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide
CID 2212200
N-(4-amino-2-methylphenyl)-5-chloro-2-iodobenzamide
CID 103807582

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(5-iodo-6-methyl-2-pyridinyl)benzamide?
The IUPAC name of 2,5-dichloro-N-(5-iodo-6-methyl-2-pyridinyl)benzamide (CID 19631637) is 2,5-dichloro-N-(5-iodo-6-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 2,5-dichloro-N-(5-iodo-6-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 2,5-dichloro-N-(5-iodo-6-methyl-2-pyridinyl)benzamide is Cc1nc(NC(=O)c2cc(Cl)ccc2Cl)ccc1I.
What is the InChIKey of 2,5-dichloro-N-(5-iodo-6-methyl-2-pyridinyl)benzamide?
The InChIKey is HEBLACWQBWFUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2IN2O/c1-7-11(16)4-5-12(17-7)18-13(19)9-6-8(14)2-3-10(9)15/h2-6H,1H3,(H,17,18,19).
What are the key properties of 2,5-dichloro-N-(5-iodo-6-methyl-2-pyridinyl)benzamide?
2,5-dichloro-N-(5-iodo-6-methyl-2-pyridinyl)benzamide has a molecular weight of 407.04 g/mol, XLogP of 4.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(5-iodo-6-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 19631637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).