4-iodo-N-(2,4,6-triiodophenyl)benzamide

C13H7I4NO — CID 63525460

IUPAC4-iodo-N-(2,4,6-triiodophenyl)benzamide
SMILESO=C(Nc1c(I)cc(I)cc1I)c1ccc(I)cc1
InChIInChI=1S/C13H7I4NO/c14-8-3-1-7(2-4-8)13(19)18-12-10(16)5-9(15)6-11(12)17/h1-6H,(H,18,19)
InChIKeyCAJRIAMBVIRWBV-UHFFFAOYSA-N
MW700.82 g/mol
LogP5.36
Rot. Bonds2

About 4-iodo-N-(2,4,6-triiodophenyl)benzamide

4-iodo-N-(2,4,6-triiodophenyl)benzamide (PubChem CID 63525460) has the molecular formula C13H7I4NO and a molecular weight of 700.82 g/mol. Its IUPAC name is 4-iodo-N-(2,4,6-triiodophenyl)benzamide.

Molecular Properties

Compound Name4-iodo-N-(2,4,6-triiodophenyl)benzamide
PubChem CID63525460
Molecular FormulaC13H7I4NO
Molecular Weight700.82 g/mol
Exact Mass700.67
IUPAC Name4-iodo-N-(2,4,6-triiodophenyl)benzamide
SMILESO=C(Nc1c(I)cc(I)cc1I)c1ccc(I)cc1
InChIInChI=1S/C13H7I4NO/c14-8-3-1-7(2-4-8)13(19)18-12-10(16)5-9(15)6-11(12)17/h1-6H,(H,18,19)
InChIKeyCAJRIAMBVIRWBV-UHFFFAOYSA-N
XLogP5.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.82
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-iodo-N-(2,4,6-triiodophenyl)benzamide
CID 103221386
4-iodo-N-(2,3,4,5,6-pentafluorophenyl)benzamide
CID 78909417
4-iodo-N-[4-[(4-iodobenzoyl)amino]phenyl]benzamide
CID 4105689
sodium 2-benzamido-3,5-diiodobenzoate
CID 24833804
N-(2,6-dibromo-4-methylphenyl)-4-iodobenzamide
CID 60629541
N-(4-fluoro-2-iodophenyl)-4-iodobenzamide
CID 79767050
1-N,3-N,5-N-tris(4-iodophenyl)benzene-1,3,5-tricarboxamide
CID 102258249
2-bromo-5-fluoro-N-(2,4,6-triiodophenyl)benzamide
CID 63524397
N-[3,5-bis(trifluoromethyl)phenyl]-4-iodobenzamide
CID 94844570
4-iodo-N-[(4-iodobenzoyl)amino]oxybenzamide
CID 87933857
N-[2-chloro-6-(trifluoromethyl)phenyl]-4-iodobenzamide
CID 60712444
N-(4-amino-2-chloro-6-methoxyphenyl)-4-iodobenzamide
CID 100828565

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-(2,4,6-triiodophenyl)benzamide?
The IUPAC name of 4-iodo-N-(2,4,6-triiodophenyl)benzamide (CID 63525460) is 4-iodo-N-(2,4,6-triiodophenyl)benzamide.
What is the SMILES notation for 4-iodo-N-(2,4,6-triiodophenyl)benzamide?
The canonical SMILES for 4-iodo-N-(2,4,6-triiodophenyl)benzamide is O=C(Nc1c(I)cc(I)cc1I)c1ccc(I)cc1.
What is the InChIKey of 4-iodo-N-(2,4,6-triiodophenyl)benzamide?
The InChIKey is CAJRIAMBVIRWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7I4NO/c14-8-3-1-7(2-4-8)13(19)18-12-10(16)5-9(15)6-11(12)17/h1-6H,(H,18,19).
What are the key properties of 4-iodo-N-(2,4,6-triiodophenyl)benzamide?
4-iodo-N-(2,4,6-triiodophenyl)benzamide has a molecular weight of 700.82 g/mol, XLogP of 5.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-(2,4,6-triiodophenyl)benzamide is sourced from PubChem (CID 63525460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).