2-hydroxy-N-(3-hydroxy-2,2-dimethylcyclobutyl)-3,5-diiodobenzamide

C13H15I2NO3 — CID 114630704

IUPAC2-hydroxy-N-(3-hydroxy-2,2-dimethylcyclobutyl)-3,5-diiodobenzamide
SMILESCC1(C)C(O)CC1NC(=O)c1cc(I)cc(I)c1O
InChIInChI=1S/C13H15I2NO3/c1-13(2)9(5-10(13)17)16-12(19)7-3-6(14)4-8(15)11(7)18/h3-4,9-10,17-18H,5H2,1-2H3,(H,16,19)
InChIKeyLQZPRAVXKWFUSE-UHFFFAOYSA-N
MW487.08 g/mol
LogP2.49
Rot. Bonds2

About 2-hydroxy-N-(3-hydroxy-2,2-dimethylcyclobutyl)-3,5-diiodobenzamide

2-hydroxy-N-(3-hydroxy-2,2-dimethylcyclobutyl)-3,5-diiodobenzamide (PubChem CID 114630704) has the molecular formula C13H15I2NO3 and a molecular weight of 487.08 g/mol. Its IUPAC name is 2-hydroxy-N-(3-hydroxy-2,2-dimethylcyclobutyl)-3,5-diiodobenzamide.

Molecular Properties

Compound Name2-hydroxy-N-(3-hydroxy-2,2-dimethylcyclobutyl)-3,5-diiodobenzamide
PubChem CID114630704
Molecular FormulaC13H15I2NO3
Molecular Weight487.08 g/mol
Exact Mass486.91
IUPAC Name2-hydroxy-N-(3-hydroxy-2,2-dimethylcyclobutyl)-3,5-diiodobenzamide
SMILESCC1(C)C(O)CC1NC(=O)c1cc(I)cc(I)c1O
InChIInChI=1S/C13H15I2NO3/c1-13(2)9(5-10(13)17)16-12(19)7-3-6(14)4-8(15)11(7)18/h3-4,9-10,17-18H,5H2,1-2H3,(H,16,19)
InChIKeyLQZPRAVXKWFUSE-UHFFFAOYSA-N
XLogP2.49
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.08
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(3-hydroxy-2,2-dimethylcyclobutyl)-3,5-diiodobenzamide?
The IUPAC name of 2-hydroxy-N-(3-hydroxy-2,2-dimethylcyclobutyl)-3,5-diiodobenzamide (CID 114630704) is 2-hydroxy-N-(3-hydroxy-2,2-dimethylcyclobutyl)-3,5-diiodobenzamide.
What is the SMILES notation for 2-hydroxy-N-(3-hydroxy-2,2-dimethylcyclobutyl)-3,5-diiodobenzamide?
The canonical SMILES for 2-hydroxy-N-(3-hydroxy-2,2-dimethylcyclobutyl)-3,5-diiodobenzamide is CC1(C)C(O)CC1NC(=O)c1cc(I)cc(I)c1O.
What is the InChIKey of 2-hydroxy-N-(3-hydroxy-2,2-dimethylcyclobutyl)-3,5-diiodobenzamide?
The InChIKey is LQZPRAVXKWFUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15I2NO3/c1-13(2)9(5-10(13)17)16-12(19)7-3-6(14)4-8(15)11(7)18/h3-4,9-10,17-18H,5H2,1-2H3,(H,16,19).
What are the key properties of 2-hydroxy-N-(3-hydroxy-2,2-dimethylcyclobutyl)-3,5-diiodobenzamide?
2-hydroxy-N-(3-hydroxy-2,2-dimethylcyclobutyl)-3,5-diiodobenzamide has a molecular weight of 487.08 g/mol, XLogP of 2.49, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(3-hydroxy-2,2-dimethylcyclobutyl)-3,5-diiodobenzamide is sourced from PubChem (CID 114630704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).