N-(2-chloro-4-methyl-3-pyridinyl)-2-iodobenzamide

C13H10ClIN2O — CID 65488908

IUPACN-(2-chloro-4-methyl-3-pyridinyl)-2-iodobenzamide
SMILESCc1ccnc(Cl)c1NC(=O)c1ccccc1I
InChIInChI=1S/C13H10ClIN2O/c1-8-6-7-16-12(14)11(8)17-13(18)9-4-2-3-5-10(9)15/h2-7H,1H3,(H,17,18)
InChIKeyIZRVXCDAFWWRAU-UHFFFAOYSA-N
MW372.59 g/mol
LogP3.90
Rot. Bonds2

About N-(2-chloro-4-methyl-3-pyridinyl)-2-iodobenzamide

N-(2-chloro-4-methyl-3-pyridinyl)-2-iodobenzamide (PubChem CID 65488908) has the molecular formula C13H10ClIN2O and a molecular weight of 372.59 g/mol. Its IUPAC name is N-(2-chloro-4-methyl-3-pyridinyl)-2-iodobenzamide.

Molecular Properties

Compound NameN-(2-chloro-4-methyl-3-pyridinyl)-2-iodobenzamide
PubChem CID65488908
Molecular FormulaC13H10ClIN2O
Molecular Weight372.59 g/mol
Exact Mass371.95
IUPAC NameN-(2-chloro-4-methyl-3-pyridinyl)-2-iodobenzamide
SMILESCc1ccnc(Cl)c1NC(=O)c1ccccc1I
InChIInChI=1S/C13H10ClIN2O/c1-8-6-7-16-12(14)11(8)17-13(18)9-4-2-3-5-10(9)15/h2-7H,1H3,(H,17,18)
InChIKeyIZRVXCDAFWWRAU-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-4-methyl-3-pyridinyl)-2-(propylamino)benzamide
CID 65489901
(2-chloro-4-methyl-3-pyridinyl)carbamic acid
CID 88545589
5-bromo-2-chloro-N-(2-chloro-4-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 65491463
N-(2-chloro-4-methyl-3-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558700
N-(4-hydroxy-2,6-dimethylphenyl)-2-iodobenzamide
CID 5120738
N-(2-chloropyrimidin-4-yl)-2-iodobenzamide
CID 116795168
4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2-fluorobenzamide
CID 65490063
N-(2,5-dichloro-4-methylphenyl)-2-iodobenzamide
CID 115760988
4-(chloromethyl)-N-(2-chloro-4-methyl-3-pyridinyl)benzamide
CID 65489874
N-(2-chloro-4-methyl-3-pyridinyl)-1H-indole-6-carboxamide
CID 65490101
3-[(2-chloro-4-methyl-3-pyridinyl)amino]-3-oxopropanoic acid
CID 65490498
N-(2-chloro-4-methyl-3-pyridinyl)-2-[(2,5-dichlorophenoxy)methyl]pyridine-3-carboxamide
CID 91566989

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methyl-3-pyridinyl)-2-iodobenzamide?
The IUPAC name of N-(2-chloro-4-methyl-3-pyridinyl)-2-iodobenzamide (CID 65488908) is N-(2-chloro-4-methyl-3-pyridinyl)-2-iodobenzamide.
What is the SMILES notation for N-(2-chloro-4-methyl-3-pyridinyl)-2-iodobenzamide?
The canonical SMILES for N-(2-chloro-4-methyl-3-pyridinyl)-2-iodobenzamide is Cc1ccnc(Cl)c1NC(=O)c1ccccc1I.
What is the InChIKey of N-(2-chloro-4-methyl-3-pyridinyl)-2-iodobenzamide?
The InChIKey is IZRVXCDAFWWRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClIN2O/c1-8-6-7-16-12(14)11(8)17-13(18)9-4-2-3-5-10(9)15/h2-7H,1H3,(H,17,18).
What are the key properties of N-(2-chloro-4-methyl-3-pyridinyl)-2-iodobenzamide?
N-(2-chloro-4-methyl-3-pyridinyl)-2-iodobenzamide 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 N-(2-chloro-4-methyl-3-pyridinyl)-2-iodobenzamide is sourced from PubChem (CID 65488908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).