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

C12H8ClIN2O — CID 78965019

IUPACN-(4-chloro-3-pyridinyl)-2-iodobenzamide
SMILESO=C(Nc1cnccc1Cl)c1ccccc1I
InChIInChI=1S/C12H8ClIN2O/c13-9-5-6-15-7-11(9)16-12(17)8-3-1-2-4-10(8)14/h1-7H,(H,16,17)
InChIKeyVABUKQDEAIOIPM-UHFFFAOYSA-N
MW358.57 g/mol
LogP3.59
Rot. Bonds2

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

N-(4-chloro-3-pyridinyl)-2-iodobenzamide (PubChem CID 78965019) has the molecular formula C12H8ClIN2O and a molecular weight of 358.57 g/mol. Its IUPAC name is N-(4-chloro-3-pyridinyl)-2-iodobenzamide.

Molecular Properties

Compound NameN-(4-chloro-3-pyridinyl)-2-iodobenzamide
PubChem CID78965019
Molecular FormulaC12H8ClIN2O
Molecular Weight358.57 g/mol
Exact Mass357.94
IUPAC NameN-(4-chloro-3-pyridinyl)-2-iodobenzamide
SMILESO=C(Nc1cnccc1Cl)c1ccccc1I
InChIInChI=1S/C12H8ClIN2O/c13-9-5-6-15-7-11(9)16-12(17)8-3-1-2-4-10(8)14/h1-7H,(H,16,17)
InChIKeyVABUKQDEAIOIPM-UHFFFAOYSA-N
XLogP3.59
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.57
LogP ≤ 53.59
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

N-(2-chlorophenyl)-2-iodobenzamide
CID 1105942
N-(3-amino-4-pyridinyl)-2-iodobenzamide
CID 63061561
3-amino-2-chloro-N-(4-chloro-3-pyridinyl)benzamide
CID 112576138
N-(4-chloro-3-pyridinyl)-2-fluoro-3-methylbenzamide
CID 80712464
3-bromo-N-(4-chloro-3-pyridinyl)-2-fluorobenzamide
CID 106548031
N-(4-chloro-3-pyridinyl)thiophene-2-carboxamide
CID 78965933
N-(2,3-dichlorophenyl)-2-iodobenzamide
CID 1043515
2-[(4-chloro-3-pyridinyl)carbamoyl]pyridine-3-carboxylic acid
CID 83165732
(4-chloro-3-pyridinyl)carbamic acid
CID 54010428
N-(2-chlorophenyl)-3-hydroxypyridine-4-carboxamide
CID 81443413
N-(4-chloro-3-pyridinyl)-2,6-dimethylbenzamide
CID 103769247
3-amino-N-(2-chlorophenyl)pyridine-4-carboxamide
CID 23633071

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-pyridinyl)-2-iodobenzamide?
The IUPAC name of N-(4-chloro-3-pyridinyl)-2-iodobenzamide (CID 78965019) is N-(4-chloro-3-pyridinyl)-2-iodobenzamide.
What is the SMILES notation for N-(4-chloro-3-pyridinyl)-2-iodobenzamide?
The canonical SMILES for N-(4-chloro-3-pyridinyl)-2-iodobenzamide is O=C(Nc1cnccc1Cl)c1ccccc1I.
What is the InChIKey of N-(4-chloro-3-pyridinyl)-2-iodobenzamide?
The InChIKey is VABUKQDEAIOIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClIN2O/c13-9-5-6-15-7-11(9)16-12(17)8-3-1-2-4-10(8)14/h1-7H,(H,16,17).
What are the key properties of N-(4-chloro-3-pyridinyl)-2-iodobenzamide?
N-(4-chloro-3-pyridinyl)-2-iodobenzamide has a molecular weight of 358.57 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-pyridinyl)-2-iodobenzamide is sourced from PubChem (CID 78965019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).