N-[5-chloro-2-(4-chloronaphthalen-1-yl)oxyphenyl]-2-hydroxy-3,5-diiodobenzamide

C23H13Cl2I2NO3 — CID 2832039

IUPACN-[5-chloro-2-(4-chloronaphthalen-1-yl)oxyphenyl]-2-hydroxy-3,5-diiodobenzamide
SMILESO=C(Nc1cc(Cl)ccc1Oc1ccc(Cl)c2ccccc12)c1cc(I)cc(I)c1O
InChIInChI=1S/C23H13Cl2I2NO3/c24-12-5-7-21(31-20-8-6-17(25)14-3-1-2-4-15(14)20)19(9-12)28-23(30)16-10-13(26)11-18(27)22(16)29/h1-11,29H,(H,28,30)
InChIKeyPTIXJNCZRFOXHN-UHFFFAOYSA-N
MW676.08 g/mol
LogP8.11
Rot. Bonds4

About N-[5-chloro-2-(4-chloronaphthalen-1-yl)oxyphenyl]-2-hydroxy-3,5-diiodobenzamide

N-[5-chloro-2-(4-chloronaphthalen-1-yl)oxyphenyl]-2-hydroxy-3,5-diiodobenzamide (PubChem CID 2832039) has the molecular formula C23H13Cl2I2NO3 and a molecular weight of 676.08 g/mol. Its IUPAC name is N-[5-chloro-2-(4-chloronaphthalen-1-yl)oxyphenyl]-2-hydroxy-3,5-diiodobenzamide.

Molecular Properties

Compound NameN-[5-chloro-2-(4-chloronaphthalen-1-yl)oxyphenyl]-2-hydroxy-3,5-diiodobenzamide
PubChem CID2832039
Molecular FormulaC23H13Cl2I2NO3
Molecular Weight676.08 g/mol
Exact Mass674.84
IUPAC NameN-[5-chloro-2-(4-chloronaphthalen-1-yl)oxyphenyl]-2-hydroxy-3,5-diiodobenzamide
SMILESO=C(Nc1cc(Cl)ccc1Oc1ccc(Cl)c2ccccc12)c1cc(I)cc(I)c1O
InChIInChI=1S/C23H13Cl2I2NO3/c24-12-5-7-21(31-20-8-6-17(25)14-3-1-2-4-15(14)20)19(9-12)28-23(30)16-10-13(26)11-18(27)22(16)29/h1-11,29H,(H,28,30)
InChIKeyPTIXJNCZRFOXHN-UHFFFAOYSA-N
XLogP8.11
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.08
LogP ≤ 58.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[5-chloro-2-(4-chloronaphthalen-1-yl)oxyphenyl]-2-hydroxy-3,5-diiodobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(4-chloronaphthalen-1-yl)oxyphenyl]-2-hydroxy-3,5-diiodobenzamide?
The IUPAC name of N-[5-chloro-2-(4-chloronaphthalen-1-yl)oxyphenyl]-2-hydroxy-3,5-diiodobenzamide (CID 2832039) is N-[5-chloro-2-(4-chloronaphthalen-1-yl)oxyphenyl]-2-hydroxy-3,5-diiodobenzamide.
What is the SMILES notation for N-[5-chloro-2-(4-chloronaphthalen-1-yl)oxyphenyl]-2-hydroxy-3,5-diiodobenzamide?
The canonical SMILES for N-[5-chloro-2-(4-chloronaphthalen-1-yl)oxyphenyl]-2-hydroxy-3,5-diiodobenzamide is O=C(Nc1cc(Cl)ccc1Oc1ccc(Cl)c2ccccc12)c1cc(I)cc(I)c1O.
What is the InChIKey of N-[5-chloro-2-(4-chloronaphthalen-1-yl)oxyphenyl]-2-hydroxy-3,5-diiodobenzamide?
The InChIKey is PTIXJNCZRFOXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13Cl2I2NO3/c24-12-5-7-21(31-20-8-6-17(25)14-3-1-2-4-15(14)20)19(9-12)28-23(30)16-10-13(26)11-18(27)22(16)29/h1-11,29H,(H,28,30).
What are the key properties of N-[5-chloro-2-(4-chloronaphthalen-1-yl)oxyphenyl]-2-hydroxy-3,5-diiodobenzamide?
N-[5-chloro-2-(4-chloronaphthalen-1-yl)oxyphenyl]-2-hydroxy-3,5-diiodobenzamide has a molecular weight of 676.08 g/mol, XLogP of 8.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(4-chloronaphthalen-1-yl)oxyphenyl]-2-hydroxy-3,5-diiodobenzamide is sourced from PubChem (CID 2832039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).