2-methyl-3-phenyliodanuidylnaphthalene

C17H14I- — CID 58616202

IUPAC2-methyl-3-phenyliodanuidylnaphthalene
SMILESCc1cc2ccccc2cc1[I-]c1ccccc1
InChIInChI=1S/C17H14I/c1-13-11-14-7-5-6-8-15(14)12-17(13)18-16-9-3-2-4-10-16/h2-12H,1H3/q-1
InChIKeyCGNOEURGRZQUDL-UHFFFAOYSA-N
MW345.20 g/mol
LogP1.28
Rot. Bonds2

About 2-methyl-3-phenyliodanuidylnaphthalene

2-methyl-3-phenyliodanuidylnaphthalene (PubChem CID 58616202) has the molecular formula C17H14I- and a molecular weight of 345.20 g/mol. Its IUPAC name is 2-methyl-3-phenyliodanuidylnaphthalene.

Molecular Properties

Compound Name2-methyl-3-phenyliodanuidylnaphthalene
PubChem CID58616202
Molecular FormulaC17H14I-
Molecular Weight345.20 g/mol
Exact Mass345.01
IUPAC Name2-methyl-3-phenyliodanuidylnaphthalene
SMILESCc1cc2ccccc2cc1[I-]c1ccccc1
InChIInChI=1S/C17H14I/c1-13-11-14-7-5-6-8-15(14)12-17(13)18-16-9-3-2-4-10-16/h2-12H,1H3/q-1
InChIKeyCGNOEURGRZQUDL-UHFFFAOYSA-N
XLogP1.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-phenyliodanuidylnaphthalene?
The IUPAC name of 2-methyl-3-phenyliodanuidylnaphthalene (CID 58616202) is 2-methyl-3-phenyliodanuidylnaphthalene.
What is the SMILES notation for 2-methyl-3-phenyliodanuidylnaphthalene?
The canonical SMILES for 2-methyl-3-phenyliodanuidylnaphthalene is Cc1cc2ccccc2cc1[I-]c1ccccc1.
What is the InChIKey of 2-methyl-3-phenyliodanuidylnaphthalene?
The InChIKey is CGNOEURGRZQUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14I/c1-13-11-14-7-5-6-8-15(14)12-17(13)18-16-9-3-2-4-10-16/h2-12H,1H3/q-1.
What are the key properties of 2-methyl-3-phenyliodanuidylnaphthalene?
2-methyl-3-phenyliodanuidylnaphthalene has a molecular weight of 345.20 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-phenyliodanuidylnaphthalene is sourced from PubChem (CID 58616202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).