2-amino-3-(2-iodoanilino)benzamide

C13H12IN3O — CID 113332546

IUPAC2-amino-3-(2-iodoanilino)benzamide
SMILESNC(=O)c1cccc(Nc2ccccc2I)c1N
InChIInChI=1S/C13H12IN3O/c14-9-5-1-2-6-10(9)17-11-7-3-4-8(12(11)15)13(16)18/h1-7,17H,15H2,(H2,16,18)
InChIKeyUVAOMYMPIJKVJO-UHFFFAOYSA-N
MW353.16 g/mol
LogP2.72
Rot. Bonds3

About 2-amino-3-(2-iodoanilino)benzamide

2-amino-3-(2-iodoanilino)benzamide (PubChem CID 113332546) has the molecular formula C13H12IN3O and a molecular weight of 353.16 g/mol. Its IUPAC name is 2-amino-3-(2-iodoanilino)benzamide.

Molecular Properties

Compound Name2-amino-3-(2-iodoanilino)benzamide
PubChem CID113332546
Molecular FormulaC13H12IN3O
Molecular Weight353.16 g/mol
Exact Mass353.00
IUPAC Name2-amino-3-(2-iodoanilino)benzamide
SMILESNC(=O)c1cccc(Nc2ccccc2I)c1N
InChIInChI=1S/C13H12IN3O/c14-9-5-1-2-6-10(9)17-11-7-3-4-8(12(11)15)13(16)18/h1-7,17H,15H2,(H2,16,18)
InChIKeyUVAOMYMPIJKVJO-UHFFFAOYSA-N
XLogP2.72
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.16
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-(2-methylanilino)benzamide
CID 113332516
2-amino-3-iodobenzamide
CID 67497450
2-amino-3-(2-ethylanilino)benzamide
CID 113332482
2-amino-3-(4-chloroanilino)benzamide
CID 113332450
2-amino-3-[4-(dimethylamino)anilino]benzamide
CID 115544938
2-amino-3-(4-ethylanilino)benzamide
CID 113332480
3-chloro-1-N-(2-iodophenyl)benzene-1,2-diamine
CID 104834035
2-iodobenzamide
CID 160670857
2-amino-3-(4-chloro-2-fluoroanilino)benzamide
CID 113332736
2-amino-3-[(2,6-dimethyl-3-pyridinyl)amino]benzamide
CID 115546575
2-amino-3-(5-bromo-2-chloroanilino)benzamide
CID 113332933
2-amino-3-(3-chloroanilino)benzamide
CID 113332446

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-iodoanilino)benzamide?
The IUPAC name of 2-amino-3-(2-iodoanilino)benzamide (CID 113332546) is 2-amino-3-(2-iodoanilino)benzamide.
What is the SMILES notation for 2-amino-3-(2-iodoanilino)benzamide?
The canonical SMILES for 2-amino-3-(2-iodoanilino)benzamide is NC(=O)c1cccc(Nc2ccccc2I)c1N.
What is the InChIKey of 2-amino-3-(2-iodoanilino)benzamide?
The InChIKey is UVAOMYMPIJKVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12IN3O/c14-9-5-1-2-6-10(9)17-11-7-3-4-8(12(11)15)13(16)18/h1-7,17H,15H2,(H2,16,18).
What are the key properties of 2-amino-3-(2-iodoanilino)benzamide?
2-amino-3-(2-iodoanilino)benzamide has a molecular weight of 353.16 g/mol, XLogP of 2.72, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-iodoanilino)benzamide is sourced from PubChem (CID 113332546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).