2-bromo-N-(2-chloro-4-fluorophenyl)-5-iodobenzamide

C13H7BrClFINO — CID 114027522

IUPAC2-bromo-N-(2-chloro-4-fluorophenyl)-5-iodobenzamide
SMILESO=C(Nc1ccc(F)cc1Cl)c1cc(I)ccc1Br
InChIInChI=1S/C13H7BrClFINO/c14-10-3-2-8(17)6-9(10)13(19)18-12-4-1-7(16)5-11(12)15/h1-6H,(H,18,19)
InChIKeyWFMSDESPRYHIMY-UHFFFAOYSA-N
MW454.46 g/mol
LogP5.10
Rot. Bonds2

About 2-bromo-N-(2-chloro-4-fluorophenyl)-5-iodobenzamide

2-bromo-N-(2-chloro-4-fluorophenyl)-5-iodobenzamide (PubChem CID 114027522) has the molecular formula C13H7BrClFINO and a molecular weight of 454.46 g/mol. Its IUPAC name is 2-bromo-N-(2-chloro-4-fluorophenyl)-5-iodobenzamide.

Molecular Properties

Compound Name2-bromo-N-(2-chloro-4-fluorophenyl)-5-iodobenzamide
PubChem CID114027522
Molecular FormulaC13H7BrClFINO
Molecular Weight454.46 g/mol
Exact Mass452.84
IUPAC Name2-bromo-N-(2-chloro-4-fluorophenyl)-5-iodobenzamide
SMILESO=C(Nc1ccc(F)cc1Cl)c1cc(I)ccc1Br
InChIInChI=1S/C13H7BrClFINO/c14-10-3-2-8(17)6-9(10)13(19)18-12-4-1-7(16)5-11(12)15/h1-6H,(H,18,19)
InChIKeyWFMSDESPRYHIMY-UHFFFAOYSA-N
XLogP5.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.46
LogP ≤ 55.10
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-chloro-4-iodophenyl)-5-fluorobenzamide
CID 47183268
5-amino-2-bromo-N-(2-chloro-4-fluorophenyl)-4-fluorobenzamide
CID 62815766
2-bromo-N-(2,4-dichlorophenyl)-4-fluorobenzamide
CID 27666994
2-bromo-4-chloro-N-(2-chloro-4-iodophenyl)benzamide
CID 114024506
N-(2-chloro-4-fluorophenyl)-3-iodobenzamide
CID 26364200
N-(2-bromo-5-iodophenyl)-2,4-difluorobenzamide
CID 113230989
2-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-5-fluorobenzamide
CID 104724173
4-bromo-N-(2-chloro-4-fluorophenyl)-3-methylbenzamide
CID 112705655
5-amino-2-chloro-N-(2-chloro-4-fluorophenyl)benzamide
CID 29079625
N-(4-bromo-2-chlorophenyl)-2-hydroxy-5-iodobenzamide
CID 107731654
2-bromo-5-fluoro-N-(2,4,6-triiodophenyl)benzamide
CID 63524397
2-bromo-N-(2,6-dichlorophenyl)-5-fluorobenzamide
CID 60667247

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-chloro-4-fluorophenyl)-5-iodobenzamide?
The IUPAC name of 2-bromo-N-(2-chloro-4-fluorophenyl)-5-iodobenzamide (CID 114027522) is 2-bromo-N-(2-chloro-4-fluorophenyl)-5-iodobenzamide.
What is the SMILES notation for 2-bromo-N-(2-chloro-4-fluorophenyl)-5-iodobenzamide?
The canonical SMILES for 2-bromo-N-(2-chloro-4-fluorophenyl)-5-iodobenzamide is O=C(Nc1ccc(F)cc1Cl)c1cc(I)ccc1Br.
What is the InChIKey of 2-bromo-N-(2-chloro-4-fluorophenyl)-5-iodobenzamide?
The InChIKey is WFMSDESPRYHIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrClFINO/c14-10-3-2-8(17)6-9(10)13(19)18-12-4-1-7(16)5-11(12)15/h1-6H,(H,18,19).
What are the key properties of 2-bromo-N-(2-chloro-4-fluorophenyl)-5-iodobenzamide?
2-bromo-N-(2-chloro-4-fluorophenyl)-5-iodobenzamide has a molecular weight of 454.46 g/mol, XLogP of 5.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-chloro-4-fluorophenyl)-5-iodobenzamide is sourced from PubChem (CID 114027522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).