2-bromo-N-(4-bromophenyl)benzamide

C13H9Br2NO — CID 603324

IUPAC2-bromo-N-(4-bromophenyl)benzamide
SMILESO=C(Nc1ccc(Br)cc1)c1ccccc1Br
InChIInChI=1S/C13H9Br2NO/c14-9-5-7-10(8-6-9)16-13(17)11-3-1-2-4-12(11)15/h1-8H,(H,16,17)
InChIKeyFYSAKWBWAQDJDE-UHFFFAOYSA-N
MW355.03 g/mol
LogP4.46
Rot. Bonds2

About 2-bromo-N-(4-bromophenyl)benzamide

2-bromo-N-(4-bromophenyl)benzamide (PubChem CID 603324) has the molecular formula C13H9Br2NO and a molecular weight of 355.03 g/mol. Its IUPAC name is 2-bromo-N-(4-bromophenyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(4-bromophenyl)benzamide
PubChem CID603324
Molecular FormulaC13H9Br2NO
Molecular Weight355.03 g/mol
Exact Mass352.91
IUPAC Name2-bromo-N-(4-bromophenyl)benzamide
SMILESO=C(Nc1ccc(Br)cc1)c1ccccc1Br
InChIInChI=1S/C13H9Br2NO/c14-9-5-7-10(8-6-9)16-13(17)11-3-1-2-4-12(11)15/h1-8H,(H,16,17)
InChIKeyFYSAKWBWAQDJDE-UHFFFAOYSA-N
XLogP4.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.03
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-bromophenyl)benzamide?
The IUPAC name of 2-bromo-N-(4-bromophenyl)benzamide (CID 603324) is 2-bromo-N-(4-bromophenyl)benzamide.
What is the SMILES notation for 2-bromo-N-(4-bromophenyl)benzamide?
The canonical SMILES for 2-bromo-N-(4-bromophenyl)benzamide is O=C(Nc1ccc(Br)cc1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(4-bromophenyl)benzamide?
The InChIKey is FYSAKWBWAQDJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2NO/c14-9-5-7-10(8-6-9)16-13(17)11-3-1-2-4-12(11)15/h1-8H,(H,16,17).
What are the key properties of 2-bromo-N-(4-bromophenyl)benzamide?
2-bromo-N-(4-bromophenyl)benzamide has a molecular weight of 355.03 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-bromophenyl)benzamide is sourced from PubChem (CID 603324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).