3-iodonaphthalene-2-carboxamide

C11H8INO — CID 133060342

IUPAC3-iodonaphthalene-2-carboxamide
SMILESNC(=O)c1cc2ccccc2cc1I
InChIInChI=1S/C11H8INO/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14/h1-6H,(H2,13,14)
InChIKeyWQGPOORNWUJPRI-UHFFFAOYSA-N
MW297.10 g/mol
LogP2.54
Rot. Bonds1

About 3-iodonaphthalene-2-carboxamide

3-iodonaphthalene-2-carboxamide (PubChem CID 133060342) has the molecular formula C11H8INO and a molecular weight of 297.10 g/mol. Its IUPAC name is 3-iodonaphthalene-2-carboxamide.

Molecular Properties

Compound Name3-iodonaphthalene-2-carboxamide
PubChem CID133060342
Molecular FormulaC11H8INO
Molecular Weight297.10 g/mol
Exact Mass296.97
IUPAC Name3-iodonaphthalene-2-carboxamide
SMILESNC(=O)c1cc2ccccc2cc1I
InChIInChI=1S/C11H8INO/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14/h1-6H,(H2,13,14)
InChIKeyWQGPOORNWUJPRI-UHFFFAOYSA-N
XLogP2.54
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.10
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 70080980
CID 70080980
3-iodonaphthalene-2-carboxylic acid
CID 11460714
3-hydroxynaphthalene-2-carboxamide
CID 19317
3-iodo-N-methylnaphthalene-2-carboxamide
CID 133056320
ethane;methyl 3-iodonaphthalene-2-carboxylate
CID 91057809
2-iodobenzamide
CID 160670857
5-hydroxy-2-iodobenzamide;2-iodobenzamide
CID 174940863
anthracene;carbamic acid
CID 175829051
3-carboniodidoylnaphthalene-2-carboxylic acid
CID 154947844
CID 67588186
CID 67588186
benzene-1,2-dicarboxamide;hydrazine
CID 158131121
2-iodo-1H-indole-7-carboxamide
CID 141436419

Frequently Asked Questions

What is the IUPAC name of 3-iodonaphthalene-2-carboxamide?
The IUPAC name of 3-iodonaphthalene-2-carboxamide (CID 133060342) is 3-iodonaphthalene-2-carboxamide.
What is the SMILES notation for 3-iodonaphthalene-2-carboxamide?
The canonical SMILES for 3-iodonaphthalene-2-carboxamide is NC(=O)c1cc2ccccc2cc1I.
What is the InChIKey of 3-iodonaphthalene-2-carboxamide?
The InChIKey is WQGPOORNWUJPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8INO/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14/h1-6H,(H2,13,14).
What are the key properties of 3-iodonaphthalene-2-carboxamide?
3-iodonaphthalene-2-carboxamide has a molecular weight of 297.10 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodonaphthalene-2-carboxamide is sourced from PubChem (CID 133060342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).