2-iodobenzamide

C14H12I2N2O2 — CID 160670857

IUPAC2-iodobenzamide
SMILESNC(=O)c1ccccc1I.NC(=O)c1ccccc1I
InChIInChI=1S/2C7H6INO/c2*8-6-4-2-1-3-5(6)7(9)10/h2*1-4H,(H2,9,10)
InChIKeyRMXJDFKTDDBSKD-UHFFFAOYSA-N
MW494.07 g/mol
LogP2.78
Rot. Bonds2

About 2-iodobenzamide

2-iodobenzamide (PubChem CID 160670857) has the molecular formula C14H12I2N2O2 and a molecular weight of 494.07 g/mol. Its IUPAC name is 2-iodobenzamide.

Molecular Properties

Compound Name2-iodobenzamide
PubChem CID160670857
Molecular FormulaC14H12I2N2O2
Molecular Weight494.07 g/mol
Exact Mass493.90
IUPAC Name2-iodobenzamide
SMILESNC(=O)c1ccccc1I.NC(=O)c1ccccc1I
InChIInChI=1S/2C7H6INO/c2*8-6-4-2-1-3-5(6)7(9)10/h2*1-4H,(H2,9,10)
InChIKeyRMXJDFKTDDBSKD-UHFFFAOYSA-N
XLogP2.78
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.07
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-hydroxy-2-iodobenzamide;2-iodobenzamide
CID 174940863
2-amino-3-iodobenzamide
CID 67497450
benzene-1,2-dicarboxamide;hydrazine
CID 158131121
CID 67588186
CID 67588186
(2-iodophenyl)-phosphanylmethanone
CID 71171562
(2-amino-2-oxoethyl) 2-iodobenzoate
CID 2509670
3-iodonaphthalene-2-carboxamide
CID 133060342
2-amino-3-(2-iodoanilino)benzamide
CID 113332546
benzene;2-hydroxybenzamide
CID 157085280
N'-hydroxy-2-iodobenzenecarboximidamide
CID 6269117
N-[4-(carbamoylamino)phenyl]-2-iodobenzamide
CID 33152104
2,3-diiodobenzene-1,4-dicarboxamide
CID 175130034

Frequently Asked Questions

What is the IUPAC name of 2-iodobenzamide?
The IUPAC name of 2-iodobenzamide (CID 160670857) is 2-iodobenzamide.
What is the SMILES notation for 2-iodobenzamide?
The canonical SMILES for 2-iodobenzamide is NC(=O)c1ccccc1I.NC(=O)c1ccccc1I.
What is the InChIKey of 2-iodobenzamide?
The InChIKey is RMXJDFKTDDBSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H6INO/c2*8-6-4-2-1-3-5(6)7(9)10/h2*1-4H,(H2,9,10).
What are the key properties of 2-iodobenzamide?
2-iodobenzamide has a molecular weight of 494.07 g/mol, XLogP of 2.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodobenzamide is sourced from PubChem (CID 160670857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).