4-bromo-N-(2,4-dibromophenyl)-2-fluorobenzamide

C13H7Br3FNO — CID 26691585

IUPAC4-bromo-N-(2,4-dibromophenyl)-2-fluorobenzamide
SMILESO=C(Nc1ccc(Br)cc1Br)c1ccc(Br)cc1F
InChIInChI=1S/C13H7Br3FNO/c14-7-2-4-12(10(16)5-7)18-13(19)9-3-1-8(15)6-11(9)17/h1-6H,(H,18,19)
InChIKeyXXEVLZYXYLQHHN-UHFFFAOYSA-N
MW451.92 g/mol
LogP5.37
Rot. Bonds2

About 4-bromo-N-(2,4-dibromophenyl)-2-fluorobenzamide

4-bromo-N-(2,4-dibromophenyl)-2-fluorobenzamide (PubChem CID 26691585) has the molecular formula C13H7Br3FNO and a molecular weight of 451.92 g/mol. Its IUPAC name is 4-bromo-N-(2,4-dibromophenyl)-2-fluorobenzamide.

Molecular Properties

Compound Name4-bromo-N-(2,4-dibromophenyl)-2-fluorobenzamide
PubChem CID26691585
Molecular FormulaC13H7Br3FNO
Molecular Weight451.92 g/mol
Exact Mass448.81
IUPAC Name4-bromo-N-(2,4-dibromophenyl)-2-fluorobenzamide
SMILESO=C(Nc1ccc(Br)cc1Br)c1ccc(Br)cc1F
InChIInChI=1S/C13H7Br3FNO/c14-7-2-4-12(10(16)5-7)18-13(19)9-3-1-8(15)6-11(9)17/h1-6H,(H,18,19)
InChIKeyXXEVLZYXYLQHHN-UHFFFAOYSA-N
XLogP5.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.92
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2-bromo-N-(4-bromo-2-fluorophenyl)-4-chlorobenzamide
CID 103763204
N-(2-bromo-4-fluorophenyl)-2-fluoro-4-hydroxybenzamide
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5-acetamido-N-(2,4-dibromophenyl)-2-fluorobenzamide
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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2,4-dibromophenyl)-2-fluorobenzamide?
The IUPAC name of 4-bromo-N-(2,4-dibromophenyl)-2-fluorobenzamide (CID 26691585) is 4-bromo-N-(2,4-dibromophenyl)-2-fluorobenzamide.
What is the SMILES notation for 4-bromo-N-(2,4-dibromophenyl)-2-fluorobenzamide?
The canonical SMILES for 4-bromo-N-(2,4-dibromophenyl)-2-fluorobenzamide is O=C(Nc1ccc(Br)cc1Br)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-N-(2,4-dibromophenyl)-2-fluorobenzamide?
The InChIKey is XXEVLZYXYLQHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Br3FNO/c14-7-2-4-12(10(16)5-7)18-13(19)9-3-1-8(15)6-11(9)17/h1-6H,(H,18,19).
What are the key properties of 4-bromo-N-(2,4-dibromophenyl)-2-fluorobenzamide?
4-bromo-N-(2,4-dibromophenyl)-2-fluorobenzamide has a molecular weight of 451.92 g/mol, XLogP of 5.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2,4-dibromophenyl)-2-fluorobenzamide is sourced from PubChem (CID 26691585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).