5-bromo-2-fluoro-N-[2-(2-fluorophenyl)ethyl]benzamide

C15H12BrF2NO — CID 24694264

IUPAC5-bromo-2-fluoro-N-[2-(2-fluorophenyl)ethyl]benzamide
SMILESO=C(NCCc1ccccc1F)c1cc(Br)ccc1F
InChIInChI=1S/C15H12BrF2NO/c16-11-5-6-14(18)12(9-11)15(20)19-8-7-10-3-1-2-4-13(10)17/h1-6,9H,7-8H2,(H,19,20)
InChIKeyIGDFKGBYGBWVGU-UHFFFAOYSA-N
MW340.17 g/mol
LogP3.70
Rot. Bonds4

About 5-bromo-2-fluoro-N-[2-(2-fluorophenyl)ethyl]benzamide

5-bromo-2-fluoro-N-[2-(2-fluorophenyl)ethyl]benzamide (PubChem CID 24694264) has the molecular formula C15H12BrF2NO and a molecular weight of 340.17 g/mol. Its IUPAC name is 5-bromo-2-fluoro-N-[2-(2-fluorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-fluoro-N-[2-(2-fluorophenyl)ethyl]benzamide
PubChem CID24694264
Molecular FormulaC15H12BrF2NO
Molecular Weight340.17 g/mol
Exact Mass339.01
IUPAC Name5-bromo-2-fluoro-N-[2-(2-fluorophenyl)ethyl]benzamide
SMILESO=C(NCCc1ccccc1F)c1cc(Br)ccc1F
InChIInChI=1S/C15H12BrF2NO/c16-11-5-6-14(18)12(9-11)15(20)19-8-7-10-3-1-2-4-13(10)17/h1-6,9H,7-8H2,(H,19,20)
InChIKeyIGDFKGBYGBWVGU-UHFFFAOYSA-N
XLogP3.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.17
LogP ≤ 53.70
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 5-bromo-2-fluoro-N-[2-(2-fluorophenyl)ethyl]benzamide?
The IUPAC name of 5-bromo-2-fluoro-N-[2-(2-fluorophenyl)ethyl]benzamide (CID 24694264) is 5-bromo-2-fluoro-N-[2-(2-fluorophenyl)ethyl]benzamide.
What is the SMILES notation for 5-bromo-2-fluoro-N-[2-(2-fluorophenyl)ethyl]benzamide?
The canonical SMILES for 5-bromo-2-fluoro-N-[2-(2-fluorophenyl)ethyl]benzamide is O=C(NCCc1ccccc1F)c1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-2-fluoro-N-[2-(2-fluorophenyl)ethyl]benzamide?
The InChIKey is IGDFKGBYGBWVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF2NO/c16-11-5-6-14(18)12(9-11)15(20)19-8-7-10-3-1-2-4-13(10)17/h1-6,9H,7-8H2,(H,19,20).
What are the key properties of 5-bromo-2-fluoro-N-[2-(2-fluorophenyl)ethyl]benzamide?
5-bromo-2-fluoro-N-[2-(2-fluorophenyl)ethyl]benzamide has a molecular weight of 340.17 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-N-[2-(2-fluorophenyl)ethyl]benzamide is sourced from PubChem (CID 24694264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).