2-amino-5-hydroxy-N-(2-iodophenyl)benzamide

C13H11IN2O2 — CID 107073971

IUPAC2-amino-5-hydroxy-N-(2-iodophenyl)benzamide
SMILESNc1ccc(O)cc1C(=O)Nc1ccccc1I
InChIInChI=1S/C13H11IN2O2/c14-10-3-1-2-4-12(10)16-13(18)9-7-8(17)5-6-11(9)15/h1-7,17H,15H2,(H,16,18)
InChIKeyXFYMPTZEQOXNAH-UHFFFAOYSA-N
MW354.15 g/mol
LogP2.83
Rot. Bonds2

About 2-amino-5-hydroxy-N-(2-iodophenyl)benzamide

2-amino-5-hydroxy-N-(2-iodophenyl)benzamide (PubChem CID 107073971) has the molecular formula C13H11IN2O2 and a molecular weight of 354.15 g/mol. Its IUPAC name is 2-amino-5-hydroxy-N-(2-iodophenyl)benzamide.

Molecular Properties

Compound Name2-amino-5-hydroxy-N-(2-iodophenyl)benzamide
PubChem CID107073971
Molecular FormulaC13H11IN2O2
Molecular Weight354.15 g/mol
Exact Mass353.99
IUPAC Name2-amino-5-hydroxy-N-(2-iodophenyl)benzamide
SMILESNc1ccc(O)cc1C(=O)Nc1ccccc1I
InChIInChI=1S/C13H11IN2O2/c14-10-3-1-2-4-12(10)16-13(18)9-7-8(17)5-6-11(9)15/h1-7,17H,15H2,(H,16,18)
InChIKeyXFYMPTZEQOXNAH-UHFFFAOYSA-N
XLogP2.83
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.15
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-hydroxy-N-(2-iodophenyl)benzamide?
The IUPAC name of 2-amino-5-hydroxy-N-(2-iodophenyl)benzamide (CID 107073971) is 2-amino-5-hydroxy-N-(2-iodophenyl)benzamide.
What is the SMILES notation for 2-amino-5-hydroxy-N-(2-iodophenyl)benzamide?
The canonical SMILES for 2-amino-5-hydroxy-N-(2-iodophenyl)benzamide is Nc1ccc(O)cc1C(=O)Nc1ccccc1I.
What is the InChIKey of 2-amino-5-hydroxy-N-(2-iodophenyl)benzamide?
The InChIKey is XFYMPTZEQOXNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11IN2O2/c14-10-3-1-2-4-12(10)16-13(18)9-7-8(17)5-6-11(9)15/h1-7,17H,15H2,(H,16,18).
What are the key properties of 2-amino-5-hydroxy-N-(2-iodophenyl)benzamide?
2-amino-5-hydroxy-N-(2-iodophenyl)benzamide has a molecular weight of 354.15 g/mol, XLogP of 2.83, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-hydroxy-N-(2-iodophenyl)benzamide is sourced from PubChem (CID 107073971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).