N-(2-iodonaphthalen-1-yl)-9-oxofluorene-1-carboxamide

C24H14INO2 — CID 69104756

IUPACN-(2-iodonaphthalen-1-yl)-9-oxofluorene-1-carboxamide
SMILESO=C(Nc1c(I)ccc2ccccc12)c1cccc2c1C(=O)c1ccccc1-2
InChIInChI=1S/C24H14INO2/c25-20-13-12-14-6-1-2-7-15(14)22(20)26-24(28)19-11-5-10-17-16-8-3-4-9-18(16)23(27)21(17)19/h1-13H,(H,26,28)
InChIKeyJFIYSHLPMYGPPC-UHFFFAOYSA-N
MW475.29 g/mol
LogP5.91
Rot. Bonds2

About N-(2-iodonaphthalen-1-yl)-9-oxofluorene-1-carboxamide

N-(2-iodonaphthalen-1-yl)-9-oxofluorene-1-carboxamide (PubChem CID 69104756) has the molecular formula C24H14INO2 and a molecular weight of 475.29 g/mol. Its IUPAC name is N-(2-iodonaphthalen-1-yl)-9-oxofluorene-1-carboxamide.

Molecular Properties

Compound NameN-(2-iodonaphthalen-1-yl)-9-oxofluorene-1-carboxamide
PubChem CID69104756
Molecular FormulaC24H14INO2
Molecular Weight475.29 g/mol
Exact Mass475.01
IUPAC NameN-(2-iodonaphthalen-1-yl)-9-oxofluorene-1-carboxamide
SMILESO=C(Nc1c(I)ccc2ccccc12)c1cccc2c1C(=O)c1ccccc1-2
InChIInChI=1S/C24H14INO2/c25-20-13-12-14-6-1-2-7-15(14)22(20)26-24(28)19-11-5-10-17-16-8-3-4-9-18(16)23(27)21(17)19/h1-13H,(H,26,28)
InChIKeyJFIYSHLPMYGPPC-UHFFFAOYSA-N
XLogP5.91
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.29
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-iodonaphthalen-1-yl)-9-oxofluorene-1-carboxamide?
The IUPAC name of N-(2-iodonaphthalen-1-yl)-9-oxofluorene-1-carboxamide (CID 69104756) is N-(2-iodonaphthalen-1-yl)-9-oxofluorene-1-carboxamide.
What is the SMILES notation for N-(2-iodonaphthalen-1-yl)-9-oxofluorene-1-carboxamide?
The canonical SMILES for N-(2-iodonaphthalen-1-yl)-9-oxofluorene-1-carboxamide is O=C(Nc1c(I)ccc2ccccc12)c1cccc2c1C(=O)c1ccccc1-2.
What is the InChIKey of N-(2-iodonaphthalen-1-yl)-9-oxofluorene-1-carboxamide?
The InChIKey is JFIYSHLPMYGPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14INO2/c25-20-13-12-14-6-1-2-7-15(14)22(20)26-24(28)19-11-5-10-17-16-8-3-4-9-18(16)23(27)21(17)19/h1-13H,(H,26,28).
What are the key properties of N-(2-iodonaphthalen-1-yl)-9-oxofluorene-1-carboxamide?
N-(2-iodonaphthalen-1-yl)-9-oxofluorene-1-carboxamide has a molecular weight of 475.29 g/mol, XLogP of 5.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodonaphthalen-1-yl)-9-oxofluorene-1-carboxamide is sourced from PubChem (CID 69104756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).