2-hydroxy-5-iodo-N-(3-methoxycyclobutyl)benzamide

C12H14INO3 — CID 104600964

IUPAC2-hydroxy-5-iodo-N-(3-methoxycyclobutyl)benzamide
SMILESCOC1CC(NC(=O)c2cc(I)ccc2O)C1
InChIInChI=1S/C12H14INO3/c1-17-9-5-8(6-9)14-12(16)10-4-7(13)2-3-11(10)15/h2-4,8-9,15H,5-6H2,1H3,(H,14,16)
InChIKeyOZBULFAHJXWMQB-UHFFFAOYSA-N
MW347.15 g/mol
LogP1.90
Rot. Bonds3

About 2-hydroxy-5-iodo-N-(3-methoxycyclobutyl)benzamide

2-hydroxy-5-iodo-N-(3-methoxycyclobutyl)benzamide (PubChem CID 104600964) has the molecular formula C12H14INO3 and a molecular weight of 347.15 g/mol. Its IUPAC name is 2-hydroxy-5-iodo-N-(3-methoxycyclobutyl)benzamide.

Molecular Properties

Compound Name2-hydroxy-5-iodo-N-(3-methoxycyclobutyl)benzamide
PubChem CID104600964
Molecular FormulaC12H14INO3
Molecular Weight347.15 g/mol
Exact Mass347.00
IUPAC Name2-hydroxy-5-iodo-N-(3-methoxycyclobutyl)benzamide
SMILESCOC1CC(NC(=O)c2cc(I)ccc2O)C1
InChIInChI=1S/C12H14INO3/c1-17-9-5-8(6-9)14-12(16)10-4-7(13)2-3-11(10)15/h2-4,8-9,15H,5-6H2,1H3,(H,14,16)
InChIKeyOZBULFAHJXWMQB-UHFFFAOYSA-N
XLogP1.90
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.15
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-hydroxy-5-iodo-N-(3-methoxycyclobutyl)benzamide 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-iodo-N-(3-methoxycyclobutyl)benzamide
CID 104578374
2-hydroxy-5-iodo-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 107732166
2-hydroxy-5-iodo-N-(thiolan-3-yl)benzamide
CID 103711939
2-hydroxy-5-iodo-N-(5-oxopyrrolidin-3-yl)benzamide
CID 103526859
2,5-dibromo-N-(3-methoxycyclobutyl)benzamide
CID 104920723
2-iodo-N-(3-methoxycyclobutyl)-5-nitrobenzamide
CID 104578707
N-(1,1-dioxothian-3-yl)-2-hydroxy-5-iodobenzamide
CID 103710763
1-hydroxy-N-(3-methoxycyclobutyl)naphthalene-2-carboxamide
CID 104578704
5-amino-2-fluoro-N-(3-methoxycyclobutyl)benzamide
CID 114118491
N-(3,5-dimethylcyclohexyl)-2,5-dihydroxybenzamide
CID 107723193
N-(2-aminocyclopentyl)-2-hydroxy-5-iodobenzamide
CID 107732083
2-[(2-hydroxy-5-iodobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 107731367

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-iodo-N-(3-methoxycyclobutyl)benzamide?
The IUPAC name of 2-hydroxy-5-iodo-N-(3-methoxycyclobutyl)benzamide (CID 104600964) is 2-hydroxy-5-iodo-N-(3-methoxycyclobutyl)benzamide.
What is the SMILES notation for 2-hydroxy-5-iodo-N-(3-methoxycyclobutyl)benzamide?
The canonical SMILES for 2-hydroxy-5-iodo-N-(3-methoxycyclobutyl)benzamide is COC1CC(NC(=O)c2cc(I)ccc2O)C1.
What is the InChIKey of 2-hydroxy-5-iodo-N-(3-methoxycyclobutyl)benzamide?
The InChIKey is OZBULFAHJXWMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14INO3/c1-17-9-5-8(6-9)14-12(16)10-4-7(13)2-3-11(10)15/h2-4,8-9,15H,5-6H2,1H3,(H,14,16).
What are the key properties of 2-hydroxy-5-iodo-N-(3-methoxycyclobutyl)benzamide?
2-hydroxy-5-iodo-N-(3-methoxycyclobutyl)benzamide has a molecular weight of 347.15 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-iodo-N-(3-methoxycyclobutyl)benzamide is sourced from PubChem (CID 104600964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).