4-bromo-N-(5-bromo-2-fluorophenyl)benzamide

C13H8Br2FNO — CID 43555883

IUPAC4-bromo-N-(5-bromo-2-fluorophenyl)benzamide
SMILESO=C(Nc1cc(Br)ccc1F)c1ccc(Br)cc1
InChIInChI=1S/C13H8Br2FNO/c14-9-3-1-8(2-4-9)13(18)17-12-7-10(15)5-6-11(12)16/h1-7H,(H,17,18)
InChIKeyAESNVLWCHROMGB-UHFFFAOYSA-N
MW373.02 g/mol
LogP4.60
Rot. Bonds2

About 4-bromo-N-(5-bromo-2-fluorophenyl)benzamide

4-bromo-N-(5-bromo-2-fluorophenyl)benzamide (PubChem CID 43555883) has the molecular formula C13H8Br2FNO and a molecular weight of 373.02 g/mol. Its IUPAC name is 4-bromo-N-(5-bromo-2-fluorophenyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(5-bromo-2-fluorophenyl)benzamide
PubChem CID43555883
Molecular FormulaC13H8Br2FNO
Molecular Weight373.02 g/mol
Exact Mass370.90
IUPAC Name4-bromo-N-(5-bromo-2-fluorophenyl)benzamide
SMILESO=C(Nc1cc(Br)ccc1F)c1ccc(Br)cc1
InChIInChI=1S/C13H8Br2FNO/c14-9-3-1-8(2-4-9)13(18)17-12-7-10(15)5-6-11(12)16/h1-7H,(H,17,18)
InChIKeyAESNVLWCHROMGB-UHFFFAOYSA-N
XLogP4.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.02
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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N-(5-bromo-2-fluorophenyl)pyridine-3-carboxamide;hydrochloride
CID 110779489
3-bromo-N-(2,4-dibromophenyl)-4-fluorobenzamide
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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(5-bromo-2-fluorophenyl)benzamide?
The IUPAC name of 4-bromo-N-(5-bromo-2-fluorophenyl)benzamide (CID 43555883) is 4-bromo-N-(5-bromo-2-fluorophenyl)benzamide.
What is the SMILES notation for 4-bromo-N-(5-bromo-2-fluorophenyl)benzamide?
The canonical SMILES for 4-bromo-N-(5-bromo-2-fluorophenyl)benzamide is O=C(Nc1cc(Br)ccc1F)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(5-bromo-2-fluorophenyl)benzamide?
The InChIKey is AESNVLWCHROMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br2FNO/c14-9-3-1-8(2-4-9)13(18)17-12-7-10(15)5-6-11(12)16/h1-7H,(H,17,18).
What are the key properties of 4-bromo-N-(5-bromo-2-fluorophenyl)benzamide?
4-bromo-N-(5-bromo-2-fluorophenyl)benzamide has a molecular weight of 373.02 g/mol, XLogP of 4.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(5-bromo-2-fluorophenyl)benzamide is sourced from PubChem (CID 43555883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).