2-bromo-5-fluoro-N-(2,4,6-triiodophenyl)benzamide

C13H6BrFI3NO — CID 63524397

IUPAC2-bromo-5-fluoro-N-(2,4,6-triiodophenyl)benzamide
SMILESO=C(Nc1c(I)cc(I)cc1I)c1cc(F)ccc1Br
InChIInChI=1S/C13H6BrFI3NO/c14-9-2-1-6(15)3-8(9)13(20)19-12-10(17)4-7(16)5-11(12)18/h1-5H,(H,19,20)
InChIKeyAMBBJRUXXOSQCE-UHFFFAOYSA-N
MW671.81 g/mol
LogP5.65
Rot. Bonds2

About 2-bromo-5-fluoro-N-(2,4,6-triiodophenyl)benzamide

2-bromo-5-fluoro-N-(2,4,6-triiodophenyl)benzamide (PubChem CID 63524397) has the molecular formula C13H6BrFI3NO and a molecular weight of 671.81 g/mol. Its IUPAC name is 2-bromo-5-fluoro-N-(2,4,6-triiodophenyl)benzamide.

Molecular Properties

Compound Name2-bromo-5-fluoro-N-(2,4,6-triiodophenyl)benzamide
PubChem CID63524397
Molecular FormulaC13H6BrFI3NO
Molecular Weight671.81 g/mol
Exact Mass670.68
IUPAC Name2-bromo-5-fluoro-N-(2,4,6-triiodophenyl)benzamide
SMILESO=C(Nc1c(I)cc(I)cc1I)c1cc(F)ccc1Br
InChIInChI=1S/C13H6BrFI3NO/c14-9-2-1-6(15)3-8(9)13(20)19-12-10(17)4-7(16)5-11(12)18/h1-5H,(H,19,20)
InChIKeyAMBBJRUXXOSQCE-UHFFFAOYSA-N
XLogP5.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.81
LogP ≤ 55.65
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

2-bromo-N-(2,6-dichlorophenyl)-5-fluorobenzamide
CID 60667247
2-bromo-N-(2-chloro-4-iodophenyl)-5-fluorobenzamide
CID 47183268
2-bromo-5-fluoro-N-(2-fluoro-6-methylphenyl)benzamide
CID 115909354
2-bromo-N-(2-chloro-4-fluorophenyl)-5-iodobenzamide
CID 114027522
2-[(2-bromo-5-fluorobenzoyl)amino]benzoic acid
CID 16773060
3-[(2-bromo-5-fluorobenzoyl)amino]-4-hydroxybenzoic acid
CID 107264755
2-bromo-5-fluoro-N-pyridin-4-ylbenzamide
CID 24689645
N-(2-amino-4,6-dichlorophenyl)-2-bromo-5-fluorobenzamide
CID 16774955
2-bromo-N-(2-ethyl-6-methylphenyl)-5-fluorobenzamide
CID 24693167
2-bromo-N-(2,3-dimethylphenyl)-5-fluorobenzamide
CID 24695663
N-(2-bromo-5-iodophenyl)-2,4-difluorobenzamide
CID 113230989
2-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-5-fluorobenzamide
CID 104724173

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoro-N-(2,4,6-triiodophenyl)benzamide?
The IUPAC name of 2-bromo-5-fluoro-N-(2,4,6-triiodophenyl)benzamide (CID 63524397) is 2-bromo-5-fluoro-N-(2,4,6-triiodophenyl)benzamide.
What is the SMILES notation for 2-bromo-5-fluoro-N-(2,4,6-triiodophenyl)benzamide?
The canonical SMILES for 2-bromo-5-fluoro-N-(2,4,6-triiodophenyl)benzamide is O=C(Nc1c(I)cc(I)cc1I)c1cc(F)ccc1Br.
What is the InChIKey of 2-bromo-5-fluoro-N-(2,4,6-triiodophenyl)benzamide?
The InChIKey is AMBBJRUXXOSQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6BrFI3NO/c14-9-2-1-6(15)3-8(9)13(20)19-12-10(17)4-7(16)5-11(12)18/h1-5H,(H,19,20).
What are the key properties of 2-bromo-5-fluoro-N-(2,4,6-triiodophenyl)benzamide?
2-bromo-5-fluoro-N-(2,4,6-triiodophenyl)benzamide has a molecular weight of 671.81 g/mol, XLogP of 5.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-fluoro-N-(2,4,6-triiodophenyl)benzamide is sourced from PubChem (CID 63524397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).