5-[1-(5-bromofuran-2-yl)ethylamino]-2-fluorobenzamide

C13H12BrFN2O2 — CID 104652460

IUPAC5-[1-(5-bromofuran-2-yl)ethylamino]-2-fluorobenzamide
SMILESCC(Nc1ccc(F)c(C(N)=O)c1)c1ccc(Br)o1
InChIInChI=1S/C13H12BrFN2O2/c1-7(11-4-5-12(14)19-11)17-8-2-3-10(15)9(6-8)13(16)18/h2-7,17H,1H3,(H2,16,18)
InChIKeyOWWQMEBMEHZQMP-UHFFFAOYSA-N
MW327.15 g/mol
LogP3.45
Rot. Bonds4

About 5-[1-(5-bromofuran-2-yl)ethylamino]-2-fluorobenzamide

5-[1-(5-bromofuran-2-yl)ethylamino]-2-fluorobenzamide (PubChem CID 104652460) has the molecular formula C13H12BrFN2O2 and a molecular weight of 327.15 g/mol. Its IUPAC name is 5-[1-(5-bromofuran-2-yl)ethylamino]-2-fluorobenzamide.

Molecular Properties

Compound Name5-[1-(5-bromofuran-2-yl)ethylamino]-2-fluorobenzamide
PubChem CID104652460
Molecular FormulaC13H12BrFN2O2
Molecular Weight327.15 g/mol
Exact Mass326.01
IUPAC Name5-[1-(5-bromofuran-2-yl)ethylamino]-2-fluorobenzamide
SMILESCC(Nc1ccc(F)c(C(N)=O)c1)c1ccc(Br)o1
InChIInChI=1S/C13H12BrFN2O2/c1-7(11-4-5-12(14)19-11)17-8-2-3-10(15)9(6-8)13(16)18/h2-7,17H,1H3,(H2,16,18)
InChIKeyOWWQMEBMEHZQMP-UHFFFAOYSA-N
XLogP3.45
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.15
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(5-bromofuran-2-yl)ethylamino]-2-fluorobenzamide?
The IUPAC name of 5-[1-(5-bromofuran-2-yl)ethylamino]-2-fluorobenzamide (CID 104652460) is 5-[1-(5-bromofuran-2-yl)ethylamino]-2-fluorobenzamide.
What is the SMILES notation for 5-[1-(5-bromofuran-2-yl)ethylamino]-2-fluorobenzamide?
The canonical SMILES for 5-[1-(5-bromofuran-2-yl)ethylamino]-2-fluorobenzamide is CC(Nc1ccc(F)c(C(N)=O)c1)c1ccc(Br)o1.
What is the InChIKey of 5-[1-(5-bromofuran-2-yl)ethylamino]-2-fluorobenzamide?
The InChIKey is OWWQMEBMEHZQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2O2/c1-7(11-4-5-12(14)19-11)17-8-2-3-10(15)9(6-8)13(16)18/h2-7,17H,1H3,(H2,16,18).
What are the key properties of 5-[1-(5-bromofuran-2-yl)ethylamino]-2-fluorobenzamide?
5-[1-(5-bromofuran-2-yl)ethylamino]-2-fluorobenzamide has a molecular weight of 327.15 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(5-bromofuran-2-yl)ethylamino]-2-fluorobenzamide is sourced from PubChem (CID 104652460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).