5-hydroxy-2-iodobenzamide;2-iodobenzamide

C14H12I2N2O3 — CID 174940863

IUPAC5-hydroxy-2-iodobenzamide;2-iodobenzamide
SMILESNC(=O)c1cc(O)ccc1I.NC(=O)c1ccccc1I
InChIInChI=1S/C7H6INO2.C7H6INO/c8-6-2-1-4(10)3-5(6)7(9)11;8-6-4-2-1-3-5(6)7(9)10/h1-3,10H,(H2,9,11);1-4H,(H2,9,10)
InChIKeyZBGKDPVMZQQNLG-UHFFFAOYSA-N
MW510.07 g/mol
LogP2.49
Rot. Bonds2

About 5-hydroxy-2-iodobenzamide;2-iodobenzamide

5-hydroxy-2-iodobenzamide;2-iodobenzamide (PubChem CID 174940863) has the molecular formula C14H12I2N2O3 and a molecular weight of 510.07 g/mol. Its IUPAC name is 5-hydroxy-2-iodobenzamide;2-iodobenzamide.

Molecular Properties

Compound Name5-hydroxy-2-iodobenzamide;2-iodobenzamide
PubChem CID174940863
Molecular FormulaC14H12I2N2O3
Molecular Weight510.07 g/mol
Exact Mass509.89
IUPAC Name5-hydroxy-2-iodobenzamide;2-iodobenzamide
SMILESNC(=O)c1cc(O)ccc1I.NC(=O)c1ccccc1I
InChIInChI=1S/C7H6INO2.C7H6INO/c8-6-2-1-4(10)3-5(6)7(9)11;8-6-4-2-1-3-5(6)7(9)10/h1-3,10H,(H2,9,11);1-4H,(H2,9,10)
InChIKeyZBGKDPVMZQQNLG-UHFFFAOYSA-N
XLogP2.49
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.07
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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Related Compounds

2-iodobenzamide
CID 160670857
3-iodonaphthalene-2-carboxamide
CID 133060342
2-chloro-5-hydroxybenzamide
CID 57422942
benzene-1,2-dicarboxamide;benzene-1,4-dicarboxamide;4-hydroxybenzamide
CID 157113286
2-fluoro-5-hydroxybenzamide
CID 59402772
2-amino-3-iodobenzamide
CID 67497450
ethyl 5-hydroxy-2-iodobenzoate
CID 3629154
benzene-1,2-dicarboxamide;hydrazine
CID 158131121
CID 67588186
CID 67588186
2-amino-5-hydroxy-N-(2-iodophenyl)benzamide
CID 107073971
benzene;2-hydroxybenzamide
CID 157085280
N-(4-hydroxy-2,6-dimethylphenyl)-2-iodobenzamide
CID 5120738

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-iodobenzamide;2-iodobenzamide?
The IUPAC name of 5-hydroxy-2-iodobenzamide;2-iodobenzamide (CID 174940863) is 5-hydroxy-2-iodobenzamide;2-iodobenzamide.
What is the SMILES notation for 5-hydroxy-2-iodobenzamide;2-iodobenzamide?
The canonical SMILES for 5-hydroxy-2-iodobenzamide;2-iodobenzamide is NC(=O)c1cc(O)ccc1I.NC(=O)c1ccccc1I.
What is the InChIKey of 5-hydroxy-2-iodobenzamide;2-iodobenzamide?
The InChIKey is ZBGKDPVMZQQNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6INO2.C7H6INO/c8-6-2-1-4(10)3-5(6)7(9)11;8-6-4-2-1-3-5(6)7(9)10/h1-3,10H,(H2,9,11);1-4H,(H2,9,10).
What are the key properties of 5-hydroxy-2-iodobenzamide;2-iodobenzamide?
5-hydroxy-2-iodobenzamide;2-iodobenzamide has a molecular weight of 510.07 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 5-hydroxy-2-iodobenzamide;2-iodobenzamide is sourced from PubChem (CID 174940863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).