N-(2-bromo-6-chloro-4-fluorophenyl)-2-fluoro-3-iodobenzamide

C13H6BrClF2INO — CID 118203740

IUPACN-(2-bromo-6-chloro-4-fluorophenyl)-2-fluoro-3-iodobenzamide
SMILESO=C(Nc1c(Cl)cc(F)cc1Br)c1cccc(I)c1F
InChIInChI=1S/C13H6BrClF2INO/c14-8-4-6(16)5-9(15)12(8)19-13(20)7-2-1-3-10(18)11(7)17/h1-5H,(H,19,20)
InChIKeyCVCVSPAXRNJFEY-UHFFFAOYSA-N
MW472.45 g/mol
LogP5.24
Rot. Bonds2

About N-(2-bromo-6-chloro-4-fluorophenyl)-2-fluoro-3-iodobenzamide

N-(2-bromo-6-chloro-4-fluorophenyl)-2-fluoro-3-iodobenzamide (PubChem CID 118203740) has the molecular formula C13H6BrClF2INO and a molecular weight of 472.45 g/mol. Its IUPAC name is N-(2-bromo-6-chloro-4-fluorophenyl)-2-fluoro-3-iodobenzamide.

Molecular Properties

Compound NameN-(2-bromo-6-chloro-4-fluorophenyl)-2-fluoro-3-iodobenzamide
PubChem CID118203740
Molecular FormulaC13H6BrClF2INO
Molecular Weight472.45 g/mol
Exact Mass470.83
IUPAC NameN-(2-bromo-6-chloro-4-fluorophenyl)-2-fluoro-3-iodobenzamide
SMILESO=C(Nc1c(Cl)cc(F)cc1Br)c1cccc(I)c1F
InChIInChI=1S/C13H6BrClF2INO/c14-8-4-6(16)5-9(15)12(8)19-13(20)7-2-1-3-10(18)11(7)17/h1-5H,(H,19,20)
InChIKeyCVCVSPAXRNJFEY-UHFFFAOYSA-N
XLogP5.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.45
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-2-fluoro-3-iodobenzamide?
The IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-2-fluoro-3-iodobenzamide (CID 118203740) is N-(2-bromo-6-chloro-4-fluorophenyl)-2-fluoro-3-iodobenzamide.
What is the SMILES notation for N-(2-bromo-6-chloro-4-fluorophenyl)-2-fluoro-3-iodobenzamide?
The canonical SMILES for N-(2-bromo-6-chloro-4-fluorophenyl)-2-fluoro-3-iodobenzamide is O=C(Nc1c(Cl)cc(F)cc1Br)c1cccc(I)c1F.
What is the InChIKey of N-(2-bromo-6-chloro-4-fluorophenyl)-2-fluoro-3-iodobenzamide?
The InChIKey is CVCVSPAXRNJFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6BrClF2INO/c14-8-4-6(16)5-9(15)12(8)19-13(20)7-2-1-3-10(18)11(7)17/h1-5H,(H,19,20).
What are the key properties of N-(2-bromo-6-chloro-4-fluorophenyl)-2-fluoro-3-iodobenzamide?
N-(2-bromo-6-chloro-4-fluorophenyl)-2-fluoro-3-iodobenzamide has a molecular weight of 472.45 g/mol, XLogP of 5.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-chloro-4-fluorophenyl)-2-fluoro-3-iodobenzamide is sourced from PubChem (CID 118203740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).