3-chloro-4-hydroxy-5-iodobenzamide

C7H5ClINO2 — CID 101017736

IUPAC3-chloro-4-hydroxy-5-iodobenzamide
SMILESNC(=O)c1cc(Cl)c(O)c(I)c1
InChIInChI=1S/C7H5ClINO2/c8-4-1-3(7(10)12)2-5(9)6(4)11/h1-2,11H,(H2,10,12)
InChIKeyKGYOHBLDLPKZJK-UHFFFAOYSA-N
MW297.48 g/mol
LogP1.75
Rot. Bonds1

About 3-chloro-4-hydroxy-5-iodobenzamide

3-chloro-4-hydroxy-5-iodobenzamide (PubChem CID 101017736) has the molecular formula C7H5ClINO2 and a molecular weight of 297.48 g/mol. Its IUPAC name is 3-chloro-4-hydroxy-5-iodobenzamide.

Molecular Properties

Compound Name3-chloro-4-hydroxy-5-iodobenzamide
PubChem CID101017736
Molecular FormulaC7H5ClINO2
Molecular Weight297.48 g/mol
Exact Mass296.91
IUPAC Name3-chloro-4-hydroxy-5-iodobenzamide
SMILESNC(=O)c1cc(Cl)c(O)c(I)c1
InChIInChI=1S/C7H5ClINO2/c8-4-1-3(7(10)12)2-5(9)6(4)11/h1-2,11H,(H2,10,12)
InChIKeyKGYOHBLDLPKZJK-UHFFFAOYSA-N
XLogP1.75
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.48
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-chloro-4-hydroxy-5-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

3,5-dichloro-4-iodobenzamide
CID 50849721
3-chloro-4-iodobenzamide
CID 94675118
3-chloro-4-hydroxybenzamide
CID 22932347
3,4-dichloro-5-methylbenzamide
CID 121228378
4-hydroxy-3,5-diiodobenzoic acid
CID 12065
4,6-dichloro-5-hydroxypyridine-2-carboxamide
CID 163301134
3,5-dichloro-4-nitrobenzamide
CID 121228420
4-bromo-3-chloro-5-fluorobenzamide
CID 130977761
3-bromo-5-chloro-4-fluorobenzamide
CID 131622385
4-bromo-3-iodo-5-methylbenzamide
CID 171033354
4-amino-2,6-dichlorophenol;urea
CID 154637850
3-hydroxy-4-iodobenzamide
CID 24799921

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-hydroxy-5-iodobenzamide?
The IUPAC name of 3-chloro-4-hydroxy-5-iodobenzamide (CID 101017736) is 3-chloro-4-hydroxy-5-iodobenzamide.
What is the SMILES notation for 3-chloro-4-hydroxy-5-iodobenzamide?
The canonical SMILES for 3-chloro-4-hydroxy-5-iodobenzamide is NC(=O)c1cc(Cl)c(O)c(I)c1.
What is the InChIKey of 3-chloro-4-hydroxy-5-iodobenzamide?
The InChIKey is KGYOHBLDLPKZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClINO2/c8-4-1-3(7(10)12)2-5(9)6(4)11/h1-2,11H,(H2,10,12).
What are the key properties of 3-chloro-4-hydroxy-5-iodobenzamide?
3-chloro-4-hydroxy-5-iodobenzamide has a molecular weight of 297.48 g/mol, XLogP of 1.75, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-hydroxy-5-iodobenzamide is sourced from PubChem (CID 101017736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).