2-iodo-N-(4-iodophenyl)-5-nitrobenzamide

C13H8I2N2O3 — CID 38888111

IUPAC2-iodo-N-(4-iodophenyl)-5-nitrobenzamide
SMILESO=C(Nc1ccc(I)cc1)c1cc([N+](=O)[O-])ccc1I
InChIInChI=1S/C13H8I2N2O3/c14-8-1-3-9(4-2-8)16-13(18)11-7-10(17(19)20)5-6-12(11)15/h1-7H,(H,16,18)
InChIKeyWGDFBZNFXQSKEC-UHFFFAOYSA-N
MW494.03 g/mol
LogP4.06
Rot. Bonds3

About 2-iodo-N-(4-iodophenyl)-5-nitrobenzamide

2-iodo-N-(4-iodophenyl)-5-nitrobenzamide (PubChem CID 38888111) has the molecular formula C13H8I2N2O3 and a molecular weight of 494.03 g/mol. Its IUPAC name is 2-iodo-N-(4-iodophenyl)-5-nitrobenzamide.

Molecular Properties

Compound Name2-iodo-N-(4-iodophenyl)-5-nitrobenzamide
PubChem CID38888111
Molecular FormulaC13H8I2N2O3
Molecular Weight494.03 g/mol
Exact Mass493.86
IUPAC Name2-iodo-N-(4-iodophenyl)-5-nitrobenzamide
SMILESO=C(Nc1ccc(I)cc1)c1cc([N+](=O)[O-])ccc1I
InChIInChI=1S/C13H8I2N2O3/c14-8-1-3-9(4-2-8)16-13(18)11-7-10(17(19)20)5-6-12(11)15/h1-7H,(H,16,18)
InChIKeyWGDFBZNFXQSKEC-UHFFFAOYSA-N
XLogP4.06
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.03
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-N-(4-iodophenyl)-5-nitrobenzamide
CID 43377569
2-iodo-5-nitro-N-(3-nitrophenyl)benzamide
CID 38925983
N-[4-(difluoromethoxy)phenyl]-2-iodo-5-nitrobenzamide
CID 38902692
N-(3-acetamidophenyl)-2-iodo-5-nitrobenzamide
CID 38887087
2-iodo-N-(1-methyl-6-oxo-3-pyridinyl)-5-nitrobenzamide
CID 61041820
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-iodo-5-nitrobenzamide
CID 38884952
2-iodo-5-nitro-N-(4-pyrimidin-2-yloxyphenyl)benzamide
CID 55921002
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-iodo-5-nitrobenzamide
CID 55684577
N-(3-chloro-5-fluorophenyl)-2-iodo-5-nitrobenzamide
CID 103774972
N-(2-cyanophenyl)-2-iodo-5-nitrobenzamide
CID 43377432
2-iodo-5-nitro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
CID 38922652
2-iodo-N-(4-methoxyphenyl)-4-nitrobenzamide
CID 60619486

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-(4-iodophenyl)-5-nitrobenzamide?
The IUPAC name of 2-iodo-N-(4-iodophenyl)-5-nitrobenzamide (CID 38888111) is 2-iodo-N-(4-iodophenyl)-5-nitrobenzamide.
What is the SMILES notation for 2-iodo-N-(4-iodophenyl)-5-nitrobenzamide?
The canonical SMILES for 2-iodo-N-(4-iodophenyl)-5-nitrobenzamide is O=C(Nc1ccc(I)cc1)c1cc([N+](=O)[O-])ccc1I.
What is the InChIKey of 2-iodo-N-(4-iodophenyl)-5-nitrobenzamide?
The InChIKey is WGDFBZNFXQSKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8I2N2O3/c14-8-1-3-9(4-2-8)16-13(18)11-7-10(17(19)20)5-6-12(11)15/h1-7H,(H,16,18).
What are the key properties of 2-iodo-N-(4-iodophenyl)-5-nitrobenzamide?
2-iodo-N-(4-iodophenyl)-5-nitrobenzamide has a molecular weight of 494.03 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-(4-iodophenyl)-5-nitrobenzamide is sourced from PubChem (CID 38888111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).