4-chloro-3-iodo-N-(6-methoxy-3-pyridinyl)benzamide

C13H10ClIN2O2 — CID 38899578

IUPAC4-chloro-3-iodo-N-(6-methoxy-3-pyridinyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(Cl)c(I)c2)cn1
InChIInChI=1S/C13H10ClIN2O2/c1-19-12-5-3-9(7-16-12)17-13(18)8-2-4-10(14)11(15)6-8/h2-7H,1H3,(H,17,18)
InChIKeyGLWMFGPUDKFCMA-UHFFFAOYSA-N
MW388.59 g/mol
LogP3.60
Rot. Bonds3

About 4-chloro-3-iodo-N-(6-methoxy-3-pyridinyl)benzamide

4-chloro-3-iodo-N-(6-methoxy-3-pyridinyl)benzamide (PubChem CID 38899578) has the molecular formula C13H10ClIN2O2 and a molecular weight of 388.59 g/mol. Its IUPAC name is 4-chloro-3-iodo-N-(6-methoxy-3-pyridinyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-iodo-N-(6-methoxy-3-pyridinyl)benzamide
PubChem CID38899578
Molecular FormulaC13H10ClIN2O2
Molecular Weight388.59 g/mol
Exact Mass387.95
IUPAC Name4-chloro-3-iodo-N-(6-methoxy-3-pyridinyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(Cl)c(I)c2)cn1
InChIInChI=1S/C13H10ClIN2O2/c1-19-12-5-3-9(7-16-12)17-13(18)8-2-4-10(14)11(15)6-8/h2-7H,1H3,(H,17,18)
InChIKeyGLWMFGPUDKFCMA-UHFFFAOYSA-N
XLogP3.60
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.59
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-iodo-N-(6-methoxy-3-pyridinyl)benzamide?
The IUPAC name of 4-chloro-3-iodo-N-(6-methoxy-3-pyridinyl)benzamide (CID 38899578) is 4-chloro-3-iodo-N-(6-methoxy-3-pyridinyl)benzamide.
What is the SMILES notation for 4-chloro-3-iodo-N-(6-methoxy-3-pyridinyl)benzamide?
The canonical SMILES for 4-chloro-3-iodo-N-(6-methoxy-3-pyridinyl)benzamide is COc1ccc(NC(=O)c2ccc(Cl)c(I)c2)cn1.
What is the InChIKey of 4-chloro-3-iodo-N-(6-methoxy-3-pyridinyl)benzamide?
The InChIKey is GLWMFGPUDKFCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClIN2O2/c1-19-12-5-3-9(7-16-12)17-13(18)8-2-4-10(14)11(15)6-8/h2-7H,1H3,(H,17,18).
What are the key properties of 4-chloro-3-iodo-N-(6-methoxy-3-pyridinyl)benzamide?
4-chloro-3-iodo-N-(6-methoxy-3-pyridinyl)benzamide has a molecular weight of 388.59 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-iodo-N-(6-methoxy-3-pyridinyl)benzamide is sourced from PubChem (CID 38899578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).