2-amino-3-iodobenzamide

C7H7IN2O — CID 67497450

IUPAC2-amino-3-iodobenzamide
SMILESNC(=O)c1cccc(I)c1N
InChIInChI=1S/C7H7IN2O/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,9H2,(H2,10,11)
InChIKeyMXXBQBUOMDYGJP-UHFFFAOYSA-N
MW262.05 g/mol
LogP0.97
Rot. Bonds1

About 2-amino-3-iodobenzamide

2-amino-3-iodobenzamide (PubChem CID 67497450) has the molecular formula C7H7IN2O and a molecular weight of 262.05 g/mol. Its IUPAC name is 2-amino-3-iodobenzamide.

Molecular Properties

Compound Name2-amino-3-iodobenzamide
PubChem CID67497450
Molecular FormulaC7H7IN2O
Molecular Weight262.05 g/mol
Exact Mass261.96
IUPAC Name2-amino-3-iodobenzamide
SMILESNC(=O)c1cccc(I)c1N
InChIInChI=1S/C7H7IN2O/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,9H2,(H2,10,11)
InChIKeyMXXBQBUOMDYGJP-UHFFFAOYSA-N
XLogP0.97
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.05
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-iodobenzamide
CID 160670857
2-amino-3-(2-iodoanilino)benzamide
CID 113332546
2,3-diaminobenzene-1,4-dicarboxamide
CID 142757766
2,3-diaminobenzamide;hydrochloride
CID 118989521
2,3-diaminobenzamide;dihydrochloride
CID 53422807
2-amino-3-[2-(2-amino-3-carbamoylphenyl)phenyl]benzamide
CID 54284404
3-amino-2-iodobenzamide
CID 70101113
2-amino-3-methylsulfanylbenzamide
CID 115547557
2-hydroxybenzene-1,3-dicarboxamide
CID 22594874
2,3-diamino-4-hydroxybenzamide
CID 70024037
2-(2-amino-3-iodophenyl)acetic acid
CID 91873765
CID 67588186
CID 67588186

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-iodobenzamide?
The IUPAC name of 2-amino-3-iodobenzamide (CID 67497450) is 2-amino-3-iodobenzamide.
What is the SMILES notation for 2-amino-3-iodobenzamide?
The canonical SMILES for 2-amino-3-iodobenzamide is NC(=O)c1cccc(I)c1N.
What is the InChIKey of 2-amino-3-iodobenzamide?
The InChIKey is MXXBQBUOMDYGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7IN2O/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,9H2,(H2,10,11).
What are the key properties of 2-amino-3-iodobenzamide?
2-amino-3-iodobenzamide has a molecular weight of 262.05 g/mol, XLogP of 0.97, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-iodobenzamide is sourced from PubChem (CID 67497450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).