N-(2,3-dimethyloxolan-3-yl)-3-hydroxy-4-iodobenzamide

C13H16INO3 — CID 104630748

IUPACN-(2,3-dimethyloxolan-3-yl)-3-hydroxy-4-iodobenzamide
SMILESCC1OCCC1(C)NC(=O)c1ccc(I)c(O)c1
InChIInChI=1S/C13H16INO3/c1-8-13(2,5-6-18-8)15-12(17)9-3-4-10(14)11(16)7-9/h3-4,7-8,16H,5-6H2,1-2H3,(H,15,17)
InChIKeyNBCUWBRWXCBLKK-UHFFFAOYSA-N
MW361.18 g/mol
LogP2.29
Rot. Bonds2

About N-(2,3-dimethyloxolan-3-yl)-3-hydroxy-4-iodobenzamide

N-(2,3-dimethyloxolan-3-yl)-3-hydroxy-4-iodobenzamide (PubChem CID 104630748) has the molecular formula C13H16INO3 and a molecular weight of 361.18 g/mol. Its IUPAC name is N-(2,3-dimethyloxolan-3-yl)-3-hydroxy-4-iodobenzamide.

Molecular Properties

Compound NameN-(2,3-dimethyloxolan-3-yl)-3-hydroxy-4-iodobenzamide
PubChem CID104630748
Molecular FormulaC13H16INO3
Molecular Weight361.18 g/mol
Exact Mass361.02
IUPAC NameN-(2,3-dimethyloxolan-3-yl)-3-hydroxy-4-iodobenzamide
SMILESCC1OCCC1(C)NC(=O)c1ccc(I)c(O)c1
InChIInChI=1S/C13H16INO3/c1-8-13(2,5-6-18-8)15-12(17)9-3-4-10(14)11(16)7-9/h3-4,7-8,16H,5-6H2,1-2H3,(H,15,17)
InChIKeyNBCUWBRWXCBLKK-UHFFFAOYSA-N
XLogP2.29
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.18
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2,3-dimethyloxolan-3-yl)-3-hydroxy-4-iodobenzamide 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

4-bromo-N-(2,3-dimethyloxolan-3-yl)-3-methylbenzamide
CID 113413534
N-(2,3-dimethyloxolan-3-yl)pyridazine-4-carboxamide
CID 136530121
2-amino-5-bromo-N-(2,3-dimethyloxolan-3-yl)benzamide
CID 114096556
5-bromo-2-chloro-N-[(2R,3S)-2,3-dimethyloxolan-3-yl]benzamide
CID 124679724
5-bromo-2-chloro-N-[(2R,3R)-2,3-dimethyloxolan-3-yl]benzamide
CID 124679722
3-hydroxy-4-iodo-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 104627700
N-(2,3-dimethyloxolan-3-yl)-2-(methylamino)benzamide
CID 114096557
5-chloro-N-(2,3-dimethyloxolan-3-yl)-2-hydrazinylbenzamide
CID 114096341
3-hydroxy-4-iodo-N-(4-methylcyclohexyl)benzamide
CID 113434643
N-(1-cyclopropylethyl)-3-hydroxy-4-iodobenzamide
CID 104627471
N-(2,2-diethyloxan-4-yl)-3-hydroxy-4-iodobenzamide
CID 104629914
2-chloro-N-(2,3-dimethyloxolan-3-yl)-6-methylpyrimidine-4-carboxamide
CID 114219697

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethyloxolan-3-yl)-3-hydroxy-4-iodobenzamide?
The IUPAC name of N-(2,3-dimethyloxolan-3-yl)-3-hydroxy-4-iodobenzamide (CID 104630748) is N-(2,3-dimethyloxolan-3-yl)-3-hydroxy-4-iodobenzamide.
What is the SMILES notation for N-(2,3-dimethyloxolan-3-yl)-3-hydroxy-4-iodobenzamide?
The canonical SMILES for N-(2,3-dimethyloxolan-3-yl)-3-hydroxy-4-iodobenzamide is CC1OCCC1(C)NC(=O)c1ccc(I)c(O)c1.
What is the InChIKey of N-(2,3-dimethyloxolan-3-yl)-3-hydroxy-4-iodobenzamide?
The InChIKey is NBCUWBRWXCBLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16INO3/c1-8-13(2,5-6-18-8)15-12(17)9-3-4-10(14)11(16)7-9/h3-4,7-8,16H,5-6H2,1-2H3,(H,15,17).
What are the key properties of N-(2,3-dimethyloxolan-3-yl)-3-hydroxy-4-iodobenzamide?
N-(2,3-dimethyloxolan-3-yl)-3-hydroxy-4-iodobenzamide has a molecular weight of 361.18 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethyloxolan-3-yl)-3-hydroxy-4-iodobenzamide is sourced from PubChem (CID 104630748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).