3-bromo-4-fluorobenzamide

C7H5BrFNO — CID 2773329

IUPAC3-bromo-4-fluorobenzamide
SMILESNC(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C7H5BrFNO/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,(H2,10,11)
InChIKeyOGXMZSHJMFQWHL-UHFFFAOYSA-N
MW218.02 g/mol
LogP1.69
Rot. Bonds1

About 3-bromo-4-fluorobenzamide

3-bromo-4-fluorobenzamide (PubChem CID 2773329) has the molecular formula C7H5BrFNO and a molecular weight of 218.02 g/mol. Its IUPAC name is 3-bromo-4-fluorobenzamide.

Molecular Properties

Compound Name3-bromo-4-fluorobenzamide
PubChem CID2773329
Molecular FormulaC7H5BrFNO
Molecular Weight218.02 g/mol
Exact Mass216.95
IUPAC Name3-bromo-4-fluorobenzamide
SMILESNC(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C7H5BrFNO/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,(H2,10,11)
InChIKeyOGXMZSHJMFQWHL-UHFFFAOYSA-N
XLogP1.69
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.02
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-fluorobenzamide?
The IUPAC name of 3-bromo-4-fluorobenzamide (CID 2773329) is 3-bromo-4-fluorobenzamide.
What is the SMILES notation for 3-bromo-4-fluorobenzamide?
The canonical SMILES for 3-bromo-4-fluorobenzamide is NC(=O)c1ccc(F)c(Br)c1.
What is the InChIKey of 3-bromo-4-fluorobenzamide?
The InChIKey is OGXMZSHJMFQWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrFNO/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,(H2,10,11).
What are the key properties of 3-bromo-4-fluorobenzamide?
3-bromo-4-fluorobenzamide has a molecular weight of 218.02 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-fluorobenzamide is sourced from PubChem (CID 2773329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).