2-hydroxy-3,5-diiodo-N-(2-methylprop-2-enoyl)benzamide;2-hydroxy-5-iodo-N-(2-methylprop-2-enoyl)benzamide;4-hydroxy-2-iodo-N-(2-methylprop-2-enoyl)benzamide

C33H29I4N3O9 — CID 158783156

IUPAC2-hydroxy-3,5-diiodo-N-(2-methylprop-2-enoyl)benzamide;2-hydroxy-5-iodo-N-(2-methylprop-2-enoyl)benzamide;4-hydroxy-2-iodo-N-(2-methylprop-2-enoyl)benzamide
SMILESC=C(C)C(=O)NC(=O)c1cc(I)cc(I)c1O.C=C(C)C(=O)NC(=O)c1cc(I)ccc1O.C=C(C)C(=O)NC(=O)c1ccc(O)cc1I
InChIInChI=1S/C11H9I2NO3.2C11H10INO3/c1-5(2)10(16)14-11(17)7-3-6(12)4-8(13)9(7)15;1-6(2)10(15)13-11(16)8-5-7(12)3-4-9(8)14;1-6(2)10(15)13-11(16)8-4-3-7(14)5-9(8)12/h3-4,15H,1H2,2H3,(H,14,16,17);2*3-5,14H,1H2,2H3,(H,13,15,16)
InChIKeyIRILVIASPNUVIA-UHFFFAOYSA-N
MW1119.22 g/mol
LogP6.09
Rot. Bonds6

About 2-hydroxy-3,5-diiodo-N-(2-methylprop-2-enoyl)benzamide;2-hydroxy-5-iodo-N-(2-methylprop-2-enoyl)benzamide;4-hydroxy-2-iodo-N-(2-methylprop-2-enoyl)benzamide

2-hydroxy-3,5-diiodo-N-(2-methylprop-2-enoyl)benzamide;2-hydroxy-5-iodo-N-(2-methylprop-2-enoyl)benzamide;4-hydroxy-2-iodo-N-(2-methylprop-2-enoyl)benzamide (PubChem CID 158783156) has the molecular formula C33H29I4N3O9 and a molecular weight of 1119.22 g/mol. Its IUPAC name is 2-hydroxy-3,5-diiodo-N-(2-methylprop-2-enoyl)benzamide;2-hydroxy-5-iodo-N-(2-methylprop-2-enoyl)benzamide;4-hydroxy-2-iodo-N-(2-methylprop-2-enoyl)benzamide.

Molecular Properties

Compound Name2-hydroxy-3,5-diiodo-N-(2-methylprop-2-enoyl)benzamide;2-hydroxy-5-iodo-N-(2-methylprop-2-enoyl)benzamide;4-hydroxy-2-iodo-N-(2-methylprop-2-enoyl)benzamide
PubChem CID158783156
Molecular FormulaC33H29I4N3O9
Molecular Weight1119.22 g/mol
Exact Mass1118.81
IUPAC Name2-hydroxy-3,5-diiodo-N-(2-methylprop-2-enoyl)benzamide;2-hydroxy-5-iodo-N-(2-methylprop-2-enoyl)benzamide;4-hydroxy-2-iodo-N-(2-methylprop-2-enoyl)benzamide
SMILESC=C(C)C(=O)NC(=O)c1cc(I)cc(I)c1O.C=C(C)C(=O)NC(=O)c1cc(I)ccc1O.C=C(C)C(=O)NC(=O)c1ccc(O)cc1I
InChIInChI=1S/C11H9I2NO3.2C11H10INO3/c1-5(2)10(16)14-11(17)7-3-6(12)4-8(13)9(7)15;1-6(2)10(15)13-11(16)8-5-7(12)3-4-9(8)14;1-6(2)10(15)13-11(16)8-4-3-7(14)5-9(8)12/h3-4,15H,1H2,2H3,(H,14,16,17);2*3-5,14H,1H2,2H3,(H,13,15,16)
InChIKeyIRILVIASPNUVIA-UHFFFAOYSA-N
XLogP6.09
TPSA199.20 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001119.22
LogP ≤ 56.09
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-hydroxy-3,5-diiodo-N-(2-methylprop-2-enoyl)benzamide;2-hydroxy-5-iodo-N-(2-methylprop-2-enoyl)benzamide;4-hydroxy-2-iodo-N-(2-methylprop-2-enoyl)benzamide 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 2-hydroxy-3,5-diiodo-N-(2-methylprop-2-enoyl)benzamide;2-hydroxy-5-iodo-N-(2-methylprop-2-enoyl)benzamide;4-hydroxy-2-iodo-N-(2-methylprop-2-enoyl)benzamide?
The IUPAC name of 2-hydroxy-3,5-diiodo-N-(2-methylprop-2-enoyl)benzamide;2-hydroxy-5-iodo-N-(2-methylprop-2-enoyl)benzamide;4-hydroxy-2-iodo-N-(2-methylprop-2-enoyl)benzamide (CID 158783156) is 2-hydroxy-3,5-diiodo-N-(2-methylprop-2-enoyl)benzamide;2-hydroxy-5-iodo-N-(2-methylprop-2-enoyl)benzamide;4-hydroxy-2-iodo-N-(2-methylprop-2-enoyl)benzamide.
What is the SMILES notation for 2-hydroxy-3,5-diiodo-N-(2-methylprop-2-enoyl)benzamide;2-hydroxy-5-iodo-N-(2-methylprop-2-enoyl)benzamide;4-hydroxy-2-iodo-N-(2-methylprop-2-enoyl)benzamide?
The canonical SMILES for 2-hydroxy-3,5-diiodo-N-(2-methylprop-2-enoyl)benzamide;2-hydroxy-5-iodo-N-(2-methylprop-2-enoyl)benzamide;4-hydroxy-2-iodo-N-(2-methylprop-2-enoyl)benzamide is C=C(C)C(=O)NC(=O)c1cc(I)cc(I)c1O.C=C(C)C(=O)NC(=O)c1cc(I)ccc1O.C=C(C)C(=O)NC(=O)c1ccc(O)cc1I.
What is the InChIKey of 2-hydroxy-3,5-diiodo-N-(2-methylprop-2-enoyl)benzamide;2-hydroxy-5-iodo-N-(2-methylprop-2-enoyl)benzamide;4-hydroxy-2-iodo-N-(2-methylprop-2-enoyl)benzamide?
The InChIKey is IRILVIASPNUVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9I2NO3.2C11H10INO3/c1-5(2)10(16)14-11(17)7-3-6(12)4-8(13)9(7)15;1-6(2)10(15)13-11(16)8-5-7(12)3-4-9(8)14;1-6(2)10(15)13-11(16)8-4-3-7(14)5-9(8)12/h3-4,15H,1H2,2H3,(H,14,16,17);2*3-5,14H,1H2,2H3,(H,13,15,16).
What are the key properties of 2-hydroxy-3,5-diiodo-N-(2-methylprop-2-enoyl)benzamide;2-hydroxy-5-iodo-N-(2-methylprop-2-enoyl)benzamide;4-hydroxy-2-iodo-N-(2-methylprop-2-enoyl)benzamide?
2-hydroxy-3,5-diiodo-N-(2-methylprop-2-enoyl)benzamide;2-hydroxy-5-iodo-N-(2-methylprop-2-enoyl)benzamide;4-hydroxy-2-iodo-N-(2-methylprop-2-enoyl)benzamide has a molecular weight of 1119.22 g/mol, XLogP of 6.09, 6 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3,5-diiodo-N-(2-methylprop-2-enoyl)benzamide;2-hydroxy-5-iodo-N-(2-methylprop-2-enoyl)benzamide;4-hydroxy-2-iodo-N-(2-methylprop-2-enoyl)benzamide is sourced from PubChem (CID 158783156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).