N-ethoxy-2-hydroxy-3,5-diiodobenzamide

C9H9I2NO3 — CID 60717182

IUPACN-ethoxy-2-hydroxy-3,5-diiodobenzamide
SMILESCCONC(=O)c1cc(I)cc(I)c1O
InChIInChI=1S/C9H9I2NO3/c1-2-15-12-9(14)6-3-5(10)4-7(11)8(6)13/h3-4,13H,2H2,1H3,(H,12,14)
InChIKeySDIIEKMKYDLECP-UHFFFAOYSA-N
MW432.98 g/mol
LogP2.28
Rot. Bonds3

About N-ethoxy-2-hydroxy-3,5-diiodobenzamide

N-ethoxy-2-hydroxy-3,5-diiodobenzamide (PubChem CID 60717182) has the molecular formula C9H9I2NO3 and a molecular weight of 432.98 g/mol. Its IUPAC name is N-ethoxy-2-hydroxy-3,5-diiodobenzamide.

Molecular Properties

Compound NameN-ethoxy-2-hydroxy-3,5-diiodobenzamide
PubChem CID60717182
Molecular FormulaC9H9I2NO3
Molecular Weight432.98 g/mol
Exact Mass432.87
IUPAC NameN-ethoxy-2-hydroxy-3,5-diiodobenzamide
SMILESCCONC(=O)c1cc(I)cc(I)c1O
InChIInChI=1S/C9H9I2NO3/c1-2-15-12-9(14)6-3-5(10)4-7(11)8(6)13/h3-4,13H,2H2,1H3,(H,12,14)
InChIKeySDIIEKMKYDLECP-UHFFFAOYSA-N
XLogP2.28
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.98
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-ethoxy-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

Related Compounds

2-hydroxy-3,5-diiodo-N-methoxybenzamide
CID 60717158
methyl 2-hydroxy-3,5-diiodobenzoate
CID 3695482
2-hydroxy-N-[(2S)-1-hydroxybutan-2-yl]-3,5-diiodobenzamide
CID 93041920
2-hydroxy-3,5-diiodo-N-(2-methylprop-2-enyl)benzamide
CID 114619036
N-ethoxy-2-iodo-4-(trifluoromethyl)benzamide
CID 91070985
3,5-dichloro-N-ethoxy-2-iodobenzamide
CID 60700722
4-[(2-hydroxy-3,5-diiodobenzoyl)amino]-3-methoxybutanoic acid
CID 103153358
4-[(2-hydroxy-3,5-diiodobenzoyl)amino]-2-methylbutanoic acid
CID 80538597
potassium 2-hydroxy-3,5-diiodobenzoate
CID 23716296
N-ethoxy-2,4,5-trimethoxybenzamide
CID 46536432
2-ethoxy-3,5-diiodobenzamide
CID 132591548
2-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3,5-diiodobenzamide
CID 65119537

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-2-hydroxy-3,5-diiodobenzamide?
The IUPAC name of N-ethoxy-2-hydroxy-3,5-diiodobenzamide (CID 60717182) is N-ethoxy-2-hydroxy-3,5-diiodobenzamide.
What is the SMILES notation for N-ethoxy-2-hydroxy-3,5-diiodobenzamide?
The canonical SMILES for N-ethoxy-2-hydroxy-3,5-diiodobenzamide is CCONC(=O)c1cc(I)cc(I)c1O.
What is the InChIKey of N-ethoxy-2-hydroxy-3,5-diiodobenzamide?
The InChIKey is SDIIEKMKYDLECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9I2NO3/c1-2-15-12-9(14)6-3-5(10)4-7(11)8(6)13/h3-4,13H,2H2,1H3,(H,12,14).
What are the key properties of N-ethoxy-2-hydroxy-3,5-diiodobenzamide?
N-ethoxy-2-hydroxy-3,5-diiodobenzamide has a molecular weight of 432.98 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-2-hydroxy-3,5-diiodobenzamide is sourced from PubChem (CID 60717182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).