3-bromo-N-(4-bromo-3-fluorophenyl)-2-chlorobenzamide

C13H7Br2ClFNO — CID 113402951

IUPAC3-bromo-N-(4-bromo-3-fluorophenyl)-2-chlorobenzamide
SMILESO=C(Nc1ccc(Br)c(F)c1)c1cccc(Br)c1Cl
InChIInChI=1S/C13H7Br2ClFNO/c14-9-5-4-7(6-11(9)17)18-13(19)8-2-1-3-10(15)12(8)16/h1-6H,(H,18,19)
InChIKeyZKQXTCIWADKVEJ-UHFFFAOYSA-N
MW407.46 g/mol
LogP5.26
Rot. Bonds2

About 3-bromo-N-(4-bromo-3-fluorophenyl)-2-chlorobenzamide

3-bromo-N-(4-bromo-3-fluorophenyl)-2-chlorobenzamide (PubChem CID 113402951) has the molecular formula C13H7Br2ClFNO and a molecular weight of 407.46 g/mol. Its IUPAC name is 3-bromo-N-(4-bromo-3-fluorophenyl)-2-chlorobenzamide.

Molecular Properties

Compound Name3-bromo-N-(4-bromo-3-fluorophenyl)-2-chlorobenzamide
PubChem CID113402951
Molecular FormulaC13H7Br2ClFNO
Molecular Weight407.46 g/mol
Exact Mass404.86
IUPAC Name3-bromo-N-(4-bromo-3-fluorophenyl)-2-chlorobenzamide
SMILESO=C(Nc1ccc(Br)c(F)c1)c1cccc(Br)c1Cl
InChIInChI=1S/C13H7Br2ClFNO/c14-9-5-4-7(6-11(9)17)18-13(19)8-2-1-3-10(15)12(8)16/h1-6H,(H,18,19)
InChIKeyZKQXTCIWADKVEJ-UHFFFAOYSA-N
XLogP5.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.46
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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N-(4-bromo-3-fluorophenyl)-2-fluorobenzamide
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2-bromo-N-(4-chloro-3-fluorophenyl)benzamide
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N-(4-bromo-3-fluorophenyl)-3,6-dichloropyridazine-4-carboxamide
CID 114038522
5-bromo-N-(4-bromo-3-fluorophenyl)-2-fluorobenzamide
CID 65438137
3-bromo-2-chloro-N-(4-sulfamoylphenyl)benzamide
CID 103988954
N-(4-bromo-3-fluorophenyl)quinoline-5-carboxamide
CID 65429755
1-(4-bromo-3-fluorophenyl)-3-(3-chlorophenyl)urea
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4-bromo-N-(4-bromo-3-fluorophenyl)-3-fluorobenzamide
CID 65435198

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-bromo-3-fluorophenyl)-2-chlorobenzamide?
The IUPAC name of 3-bromo-N-(4-bromo-3-fluorophenyl)-2-chlorobenzamide (CID 113402951) is 3-bromo-N-(4-bromo-3-fluorophenyl)-2-chlorobenzamide.
What is the SMILES notation for 3-bromo-N-(4-bromo-3-fluorophenyl)-2-chlorobenzamide?
The canonical SMILES for 3-bromo-N-(4-bromo-3-fluorophenyl)-2-chlorobenzamide is O=C(Nc1ccc(Br)c(F)c1)c1cccc(Br)c1Cl.
What is the InChIKey of 3-bromo-N-(4-bromo-3-fluorophenyl)-2-chlorobenzamide?
The InChIKey is ZKQXTCIWADKVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Br2ClFNO/c14-9-5-4-7(6-11(9)17)18-13(19)8-2-1-3-10(15)12(8)16/h1-6H,(H,18,19).
What are the key properties of 3-bromo-N-(4-bromo-3-fluorophenyl)-2-chlorobenzamide?
3-bromo-N-(4-bromo-3-fluorophenyl)-2-chlorobenzamide has a molecular weight of 407.46 g/mol, XLogP of 5.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(4-bromo-3-fluorophenyl)-2-chlorobenzamide is sourced from PubChem (CID 113402951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).