3-amino-2-iodobenzamide

C7H7IN2O — CID 70101113

IUPAC3-amino-2-iodobenzamide
SMILESNC(=O)c1cccc(N)c1I
InChIInChI=1S/C7H7IN2O/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3H,9H2,(H2,10,11)
InChIKeyWOLUGUFCXBTWTL-UHFFFAOYSA-N
MW262.05 g/mol
LogP0.97
Rot. Bonds1

About 3-amino-2-iodobenzamide

3-amino-2-iodobenzamide (PubChem CID 70101113) has the molecular formula C7H7IN2O and a molecular weight of 262.05 g/mol. Its IUPAC name is 3-amino-2-iodobenzamide.

Molecular Properties

Compound Name3-amino-2-iodobenzamide
PubChem CID70101113
Molecular FormulaC7H7IN2O
Molecular Weight262.05 g/mol
Exact Mass261.96
IUPAC Name3-amino-2-iodobenzamide
SMILESNC(=O)c1cccc(N)c1I
InChIInChI=1S/C7H7IN2O/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3H,9H2,(H2,10,11)
InChIKeyWOLUGUFCXBTWTL-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

3-amino-2-iodobenzoic acid
CID 22266658
2,3-diiodobenzene-1,4-dicarboxamide
CID 175130034
2,3-diaminobenzamide;hydrochloride
CID 118989521
2,3-diaminobenzamide;dihydrochloride
CID 53422807
bis(2-aminobenzamide);platinum(2+)
CID 50912239
2-amino-3-iodobenzamide
CID 67497450
3-(2-hydroxyethoxy)-2-iodobenzamide
CID 58242141
2-iodobenzamide
CID 160670857
benzene-1,2-diamine;2-carbamoylbenzoic acid
CID 175046115
2-hydroxybenzene-1,3-dicarboxamide
CID 22594874
3-amino-2-ethylbenzamide;dihydrochloride
CID 174785201
benzene-1,2-dicarboxamide;hydrazine
CID 158131121

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-iodobenzamide?
The IUPAC name of 3-amino-2-iodobenzamide (CID 70101113) is 3-amino-2-iodobenzamide.
What is the SMILES notation for 3-amino-2-iodobenzamide?
The canonical SMILES for 3-amino-2-iodobenzamide is NC(=O)c1cccc(N)c1I.
What is the InChIKey of 3-amino-2-iodobenzamide?
The InChIKey is WOLUGUFCXBTWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7IN2O/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3H,9H2,(H2,10,11).
What are the key properties of 3-amino-2-iodobenzamide?
3-amino-2-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 3-amino-2-iodobenzamide is sourced from PubChem (CID 70101113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).