3-[1-(5-bromofuran-2-yl)ethylamino]-4-fluorobenzamide

C13H12BrFN2O2 — CID 104652453

IUPAC3-[1-(5-bromofuran-2-yl)ethylamino]-4-fluorobenzamide
SMILESCC(Nc1cc(C(N)=O)ccc1F)c1ccc(Br)o1
InChIInChI=1S/C13H12BrFN2O2/c1-7(11-4-5-12(14)19-11)17-10-6-8(13(16)18)2-3-9(10)15/h2-7,17H,1H3,(H2,16,18)
InChIKeyFSUFJZHVQHSOEI-UHFFFAOYSA-N
MW327.15 g/mol
LogP3.45
Rot. Bonds4

About 3-[1-(5-bromofuran-2-yl)ethylamino]-4-fluorobenzamide

3-[1-(5-bromofuran-2-yl)ethylamino]-4-fluorobenzamide (PubChem CID 104652453) has the molecular formula C13H12BrFN2O2 and a molecular weight of 327.15 g/mol. Its IUPAC name is 3-[1-(5-bromofuran-2-yl)ethylamino]-4-fluorobenzamide.

Molecular Properties

Compound Name3-[1-(5-bromofuran-2-yl)ethylamino]-4-fluorobenzamide
PubChem CID104652453
Molecular FormulaC13H12BrFN2O2
Molecular Weight327.15 g/mol
Exact Mass326.01
IUPAC Name3-[1-(5-bromofuran-2-yl)ethylamino]-4-fluorobenzamide
SMILESCC(Nc1cc(C(N)=O)ccc1F)c1ccc(Br)o1
InChIInChI=1S/C13H12BrFN2O2/c1-7(11-4-5-12(14)19-11)17-10-6-8(13(16)18)2-3-9(10)15/h2-7,17H,1H3,(H2,16,18)
InChIKeyFSUFJZHVQHSOEI-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 3-[1-(5-bromofuran-2-yl)ethylamino]-4-fluorobenzamide?
The IUPAC name of 3-[1-(5-bromofuran-2-yl)ethylamino]-4-fluorobenzamide (CID 104652453) is 3-[1-(5-bromofuran-2-yl)ethylamino]-4-fluorobenzamide.
What is the SMILES notation for 3-[1-(5-bromofuran-2-yl)ethylamino]-4-fluorobenzamide?
The canonical SMILES for 3-[1-(5-bromofuran-2-yl)ethylamino]-4-fluorobenzamide is CC(Nc1cc(C(N)=O)ccc1F)c1ccc(Br)o1.
What is the InChIKey of 3-[1-(5-bromofuran-2-yl)ethylamino]-4-fluorobenzamide?
The InChIKey is FSUFJZHVQHSOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2O2/c1-7(11-4-5-12(14)19-11)17-10-6-8(13(16)18)2-3-9(10)15/h2-7,17H,1H3,(H2,16,18).
What are the key properties of 3-[1-(5-bromofuran-2-yl)ethylamino]-4-fluorobenzamide?
3-[1-(5-bromofuran-2-yl)ethylamino]-4-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 3-[1-(5-bromofuran-2-yl)ethylamino]-4-fluorobenzamide is sourced from PubChem (CID 104652453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).