2-hydroxy-5-iodo-N-methyl-N-(oxolan-3-yl)benzamide

C12H14INO3 — CID 113258754

IUPAC2-hydroxy-5-iodo-N-methyl-N-(oxolan-3-yl)benzamide
SMILESCN(C(=O)c1cc(I)ccc1O)C1CCOC1
InChIInChI=1S/C12H14INO3/c1-14(9-4-5-17-7-9)12(16)10-6-8(13)2-3-11(10)15/h2-3,6,9,15H,4-5,7H2,1H3
InChIKeyIKPCVOAIXBWDFC-UHFFFAOYSA-N
MW347.15 g/mol
LogP1.86
Rot. Bonds2

About 2-hydroxy-5-iodo-N-methyl-N-(oxolan-3-yl)benzamide

2-hydroxy-5-iodo-N-methyl-N-(oxolan-3-yl)benzamide (PubChem CID 113258754) has the molecular formula C12H14INO3 and a molecular weight of 347.15 g/mol. Its IUPAC name is 2-hydroxy-5-iodo-N-methyl-N-(oxolan-3-yl)benzamide.

Molecular Properties

Compound Name2-hydroxy-5-iodo-N-methyl-N-(oxolan-3-yl)benzamide
PubChem CID113258754
Molecular FormulaC12H14INO3
Molecular Weight347.15 g/mol
Exact Mass347.00
IUPAC Name2-hydroxy-5-iodo-N-methyl-N-(oxolan-3-yl)benzamide
SMILESCN(C(=O)c1cc(I)ccc1O)C1CCOC1
InChIInChI=1S/C12H14INO3/c1-14(9-4-5-17-7-9)12(16)10-6-8(13)2-3-11(10)15/h2-3,6,9,15H,4-5,7H2,1H3
InChIKeyIKPCVOAIXBWDFC-UHFFFAOYSA-N
XLogP1.86
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.15
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-5-iodo-N-methyl-N-(4-methylcyclohexyl)benzamide
CID 103606106
2-hydroxy-5-iodo-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 107732093
2-fluoro-4-hydroxy-N-methyl-N-(oxolan-3-yl)benzamide
CID 104929947
2-bromo-N-methyl-N-(oxolan-3-yl)benzamide
CID 78954018
2-amino-N-methyl-N-(oxolan-3-yl)benzamide;hydrochloride
CID 119945295
4-amino-N,2-dimethyl-N-(oxolan-3-yl)benzamide
CID 82740644
2-bromo-4-fluoro-N-methyl-N-(oxolan-3-yl)benzamide
CID 78947672
N-cyclopropyl-2,5-dihydroxy-N-methylbenzamide
CID 107722324
2-hydroxy-N-methyl-3-nitro-N-[(3S)-oxolan-3-yl]benzamide
CID 99716959
2-fluoro-N-methyl-N-(oxolan-3-yl)-5-sulfamoylbenzamide
CID 82744457
2-fluoro-N-methyl-N-(oxolan-3-yl)-4-sulfamoylbenzamide
CID 82749561
2-bromo-3-fluoro-N-methyl-N-(oxolan-3-yl)benzamide
CID 82737720

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-iodo-N-methyl-N-(oxolan-3-yl)benzamide?
The IUPAC name of 2-hydroxy-5-iodo-N-methyl-N-(oxolan-3-yl)benzamide (CID 113258754) is 2-hydroxy-5-iodo-N-methyl-N-(oxolan-3-yl)benzamide.
What is the SMILES notation for 2-hydroxy-5-iodo-N-methyl-N-(oxolan-3-yl)benzamide?
The canonical SMILES for 2-hydroxy-5-iodo-N-methyl-N-(oxolan-3-yl)benzamide is CN(C(=O)c1cc(I)ccc1O)C1CCOC1.
What is the InChIKey of 2-hydroxy-5-iodo-N-methyl-N-(oxolan-3-yl)benzamide?
The InChIKey is IKPCVOAIXBWDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14INO3/c1-14(9-4-5-17-7-9)12(16)10-6-8(13)2-3-11(10)15/h2-3,6,9,15H,4-5,7H2,1H3.
What are the key properties of 2-hydroxy-5-iodo-N-methyl-N-(oxolan-3-yl)benzamide?
2-hydroxy-5-iodo-N-methyl-N-(oxolan-3-yl)benzamide has a molecular weight of 347.15 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-iodo-N-methyl-N-(oxolan-3-yl)benzamide is sourced from PubChem (CID 113258754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).