4-bromo-N-(4-bromo-3-fluorophenyl)-3-fluorobenzamide

C13H7Br2F2NO — CID 65435198

IUPAC4-bromo-N-(4-bromo-3-fluorophenyl)-3-fluorobenzamide
SMILESO=C(Nc1ccc(Br)c(F)c1)c1ccc(Br)c(F)c1
InChIInChI=1S/C13H7Br2F2NO/c14-9-3-1-7(5-11(9)16)13(19)18-8-2-4-10(15)12(17)6-8/h1-6H,(H,18,19)
InChIKeyMQHLQFKZXICBEO-UHFFFAOYSA-N
MW391.01 g/mol
LogP4.74
Rot. Bonds2

About 4-bromo-N-(4-bromo-3-fluorophenyl)-3-fluorobenzamide

4-bromo-N-(4-bromo-3-fluorophenyl)-3-fluorobenzamide (PubChem CID 65435198) has the molecular formula C13H7Br2F2NO and a molecular weight of 391.01 g/mol. Its IUPAC name is 4-bromo-N-(4-bromo-3-fluorophenyl)-3-fluorobenzamide.

Molecular Properties

Compound Name4-bromo-N-(4-bromo-3-fluorophenyl)-3-fluorobenzamide
PubChem CID65435198
Molecular FormulaC13H7Br2F2NO
Molecular Weight391.01 g/mol
Exact Mass388.89
IUPAC Name4-bromo-N-(4-bromo-3-fluorophenyl)-3-fluorobenzamide
SMILESO=C(Nc1ccc(Br)c(F)c1)c1ccc(Br)c(F)c1
InChIInChI=1S/C13H7Br2F2NO/c14-9-3-1-7(5-11(9)16)13(19)18-8-2-4-10(15)12(17)6-8/h1-6H,(H,18,19)
InChIKeyMQHLQFKZXICBEO-UHFFFAOYSA-N
XLogP4.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.01
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-bromo-3-fluorophenyl)-3-fluorobenzamide?
The IUPAC name of 4-bromo-N-(4-bromo-3-fluorophenyl)-3-fluorobenzamide (CID 65435198) is 4-bromo-N-(4-bromo-3-fluorophenyl)-3-fluorobenzamide.
What is the SMILES notation for 4-bromo-N-(4-bromo-3-fluorophenyl)-3-fluorobenzamide?
The canonical SMILES for 4-bromo-N-(4-bromo-3-fluorophenyl)-3-fluorobenzamide is O=C(Nc1ccc(Br)c(F)c1)c1ccc(Br)c(F)c1.
What is the InChIKey of 4-bromo-N-(4-bromo-3-fluorophenyl)-3-fluorobenzamide?
The InChIKey is MQHLQFKZXICBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Br2F2NO/c14-9-3-1-7(5-11(9)16)13(19)18-8-2-4-10(15)12(17)6-8/h1-6H,(H,18,19).
What are the key properties of 4-bromo-N-(4-bromo-3-fluorophenyl)-3-fluorobenzamide?
4-bromo-N-(4-bromo-3-fluorophenyl)-3-fluorobenzamide has a molecular weight of 391.01 g/mol, XLogP of 4.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-bromo-3-fluorophenyl)-3-fluorobenzamide is sourced from PubChem (CID 65435198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).