N-acetyl-8-iodonaphthalene-1-carboxamide

C13H10INO2 — CID 2801968

IUPACN-acetyl-8-iodonaphthalene-1-carboxamide
SMILESCC(=O)NC(=O)c1cccc2cccc(I)c12
InChIInChI=1S/C13H10INO2/c1-8(16)15-13(17)10-6-2-4-9-5-3-7-11(14)12(9)10/h2-7H,1H3,(H,15,16,17)
InChIKeyRCQKLSVVCABRLZ-UHFFFAOYSA-N
MW339.13 g/mol
LogP2.72
Rot. Bonds1

About N-acetyl-8-iodonaphthalene-1-carboxamide

N-acetyl-8-iodonaphthalene-1-carboxamide (PubChem CID 2801968) has the molecular formula C13H10INO2 and a molecular weight of 339.13 g/mol. Its IUPAC name is N-acetyl-8-iodonaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-acetyl-8-iodonaphthalene-1-carboxamide
PubChem CID2801968
Molecular FormulaC13H10INO2
Molecular Weight339.13 g/mol
Exact Mass338.98
IUPAC NameN-acetyl-8-iodonaphthalene-1-carboxamide
SMILESCC(=O)NC(=O)c1cccc2cccc(I)c12
InChIInChI=1S/C13H10INO2/c1-8(16)15-13(17)10-6-2-4-9-5-3-7-11(14)12(9)10/h2-7H,1H3,(H,15,16,17)
InChIKeyRCQKLSVVCABRLZ-UHFFFAOYSA-N
XLogP2.72
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.13
LogP ≤ 52.72
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-acetyl-8-iodonaphthalene-1-carboxamide?
The IUPAC name of N-acetyl-8-iodonaphthalene-1-carboxamide (CID 2801968) is N-acetyl-8-iodonaphthalene-1-carboxamide.
What is the SMILES notation for N-acetyl-8-iodonaphthalene-1-carboxamide?
The canonical SMILES for N-acetyl-8-iodonaphthalene-1-carboxamide is CC(=O)NC(=O)c1cccc2cccc(I)c12.
What is the InChIKey of N-acetyl-8-iodonaphthalene-1-carboxamide?
The InChIKey is RCQKLSVVCABRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10INO2/c1-8(16)15-13(17)10-6-2-4-9-5-3-7-11(14)12(9)10/h2-7H,1H3,(H,15,16,17).
What are the key properties of N-acetyl-8-iodonaphthalene-1-carboxamide?
N-acetyl-8-iodonaphthalene-1-carboxamide has a molecular weight of 339.13 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-8-iodonaphthalene-1-carboxamide is sourced from PubChem (CID 2801968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).