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

C13H7BrClFINO — CID 113231143

IUPAC5-bromo-N-(2-chloro-5-fluorophenyl)-2-iodobenzamide
SMILESO=C(Nc1cc(F)ccc1Cl)c1cc(Br)ccc1I
InChIInChI=1S/C13H7BrClFINO/c14-7-1-4-11(17)9(5-7)13(19)18-12-6-8(16)2-3-10(12)15/h1-6H,(H,18,19)
InChIKeyUUECSBXGXKAWFD-UHFFFAOYSA-N
MW454.46 g/mol
LogP5.10
Rot. Bonds2

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

5-bromo-N-(2-chloro-5-fluorophenyl)-2-iodobenzamide (PubChem CID 113231143) has the molecular formula C13H7BrClFINO and a molecular weight of 454.46 g/mol. Its IUPAC name is 5-bromo-N-(2-chloro-5-fluorophenyl)-2-iodobenzamide.

Molecular Properties

Compound Name5-bromo-N-(2-chloro-5-fluorophenyl)-2-iodobenzamide
PubChem CID113231143
Molecular FormulaC13H7BrClFINO
Molecular Weight454.46 g/mol
Exact Mass452.84
IUPAC Name5-bromo-N-(2-chloro-5-fluorophenyl)-2-iodobenzamide
SMILESO=C(Nc1cc(F)ccc1Cl)c1cc(Br)ccc1I
InChIInChI=1S/C13H7BrClFINO/c14-7-1-4-11(17)9(5-7)13(19)18-12-6-8(16)2-3-10(12)15/h1-6H,(H,18,19)
InChIKeyUUECSBXGXKAWFD-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-amino-N-(5-bromo-2-chlorophenyl)-5-fluorobenzamide
CID 62914100
N-(5-bromo-2-chlorophenyl)-5-fluoro-2-hydroxybenzamide
CID 115298791
5-bromo-N-(3-fluoro-5-methylphenyl)-2-iodobenzamide
CID 114033240
2-chloro-N-(2-chloro-5-fluorophenyl)-5-hydroxybenzamide
CID 107528809
N-(2-chloro-5-fluorophenyl)-2-fluorobenzamide
CID 113231148
N-(5-amino-2-chlorophenyl)-5-bromo-2-chlorobenzamide
CID 43548736
5-bromo-2-fluoro-N-(2,4,5-trichlorophenyl)benzamide
CID 28547728
5-bromo-N-(5-fluoro-2-methylphenyl)-2-methylbenzamide
CID 65307346
2-amino-N-(5-bromo-2-chlorophenyl)-4,5-difluorobenzamide
CID 62913368
5-bromo-N-(2-chloro-5-fluorophenyl)-2-(ethylamino)pyridine-3-carboxamide
CID 107531221
5-bromo-2-chloro-N-(2-ethoxy-4-fluorophenyl)benzamide
CID 60794303
5-bromo-2-chloro-N-(3-chloro-2-fluorophenyl)benzamide
CID 26897422

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-chloro-5-fluorophenyl)-2-iodobenzamide?
The IUPAC name of 5-bromo-N-(2-chloro-5-fluorophenyl)-2-iodobenzamide (CID 113231143) is 5-bromo-N-(2-chloro-5-fluorophenyl)-2-iodobenzamide.
What is the SMILES notation for 5-bromo-N-(2-chloro-5-fluorophenyl)-2-iodobenzamide?
The canonical SMILES for 5-bromo-N-(2-chloro-5-fluorophenyl)-2-iodobenzamide is O=C(Nc1cc(F)ccc1Cl)c1cc(Br)ccc1I.
What is the InChIKey of 5-bromo-N-(2-chloro-5-fluorophenyl)-2-iodobenzamide?
The InChIKey is UUECSBXGXKAWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrClFINO/c14-7-1-4-11(17)9(5-7)13(19)18-12-6-8(16)2-3-10(12)15/h1-6H,(H,18,19).
What are the key properties of 5-bromo-N-(2-chloro-5-fluorophenyl)-2-iodobenzamide?
5-bromo-N-(2-chloro-5-fluorophenyl)-2-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 5-bromo-N-(2-chloro-5-fluorophenyl)-2-iodobenzamide is sourced from PubChem (CID 113231143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).