5-[1-(3-bromo-4-fluorophenyl)ethylamino]-1-ethylpyridin-2-one

C15H16BrFN2O — CID 60943912

IUPAC5-[1-(3-bromo-4-fluorophenyl)ethylamino]-1-ethylpyridin-2-one
SMILESCCn1cc(NC(C)c2ccc(F)c(Br)c2)ccc1=O
InChIInChI=1S/C15H16BrFN2O/c1-3-19-9-12(5-7-15(19)20)18-10(2)11-4-6-14(17)13(16)8-11/h4-10,18H,3H2,1-2H3
InChIKeyKDOQKLQQJRVIPU-UHFFFAOYSA-N
MW339.21 g/mol
LogP3.94
Rot. Bonds4

About 5-[1-(3-bromo-4-fluorophenyl)ethylamino]-1-ethylpyridin-2-one

5-[1-(3-bromo-4-fluorophenyl)ethylamino]-1-ethylpyridin-2-one (PubChem CID 60943912) has the molecular formula C15H16BrFN2O and a molecular weight of 339.21 g/mol. Its IUPAC name is 5-[1-(3-bromo-4-fluorophenyl)ethylamino]-1-ethylpyridin-2-one.

Molecular Properties

Compound Name5-[1-(3-bromo-4-fluorophenyl)ethylamino]-1-ethylpyridin-2-one
PubChem CID60943912
Molecular FormulaC15H16BrFN2O
Molecular Weight339.21 g/mol
Exact Mass338.04
IUPAC Name5-[1-(3-bromo-4-fluorophenyl)ethylamino]-1-ethylpyridin-2-one
SMILESCCn1cc(NC(C)c2ccc(F)c(Br)c2)ccc1=O
InChIInChI=1S/C15H16BrFN2O/c1-3-19-9-12(5-7-15(19)20)18-10(2)11-4-6-14(17)13(16)8-11/h4-10,18H,3H2,1-2H3
InChIKeyKDOQKLQQJRVIPU-UHFFFAOYSA-N
XLogP3.94
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.21
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[1-(3-bromo-4-fluorophenyl)ethylamino]-1-ethylpyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[1-(3-chloro-4-fluorophenyl)ethylamino]-1-ethylpyridin-2-one
CID 60942913
5-[1-(3,5-dihydroxyphenyl)ethylamino]-1-ethylpyridin-2-one
CID 107706094
5-[1-(2,5-difluorophenyl)ethylamino]-1-ethylpyridin-2-one
CID 60942405
1-ethyl-5-[1-(4-nitrophenyl)ethylamino]pyridin-2-one
CID 60943542
N-[1-(3-bromo-4-fluorophenyl)ethyl]-4-ethoxyaniline
CID 43757906
5-[1-(5-bromo-2-fluorophenyl)ethylamino]-1-propylpyridin-2-one
CID 82963864
3-bromo-N-[1-(3,5-difluorophenyl)ethyl]-4-fluoroaniline
CID 104775807
N-[1-(3-bromo-4-fluorophenyl)ethyl]aniline
CID 43756125
1-N-[1-(3-bromo-4-fluorophenyl)ethyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 43778749
2-[4-[1-(3-bromo-4-fluorophenyl)ethylamino]phenyl]ethanol
CID 61236609
N-[1-(3-bromo-4-fluorophenyl)ethyl]-4-nitroaniline
CID 43785837
5-(2,6-dimethylheptan-4-ylamino)-1-ethylpyridin-2-one
CID 54863810

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-bromo-4-fluorophenyl)ethylamino]-1-ethylpyridin-2-one?
The IUPAC name of 5-[1-(3-bromo-4-fluorophenyl)ethylamino]-1-ethylpyridin-2-one (CID 60943912) is 5-[1-(3-bromo-4-fluorophenyl)ethylamino]-1-ethylpyridin-2-one.
What is the SMILES notation for 5-[1-(3-bromo-4-fluorophenyl)ethylamino]-1-ethylpyridin-2-one?
The canonical SMILES for 5-[1-(3-bromo-4-fluorophenyl)ethylamino]-1-ethylpyridin-2-one is CCn1cc(NC(C)c2ccc(F)c(Br)c2)ccc1=O.
What is the InChIKey of 5-[1-(3-bromo-4-fluorophenyl)ethylamino]-1-ethylpyridin-2-one?
The InChIKey is KDOQKLQQJRVIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN2O/c1-3-19-9-12(5-7-15(19)20)18-10(2)11-4-6-14(17)13(16)8-11/h4-10,18H,3H2,1-2H3.
What are the key properties of 5-[1-(3-bromo-4-fluorophenyl)ethylamino]-1-ethylpyridin-2-one?
5-[1-(3-bromo-4-fluorophenyl)ethylamino]-1-ethylpyridin-2-one has a molecular weight of 339.21 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-bromo-4-fluorophenyl)ethylamino]-1-ethylpyridin-2-one is sourced from PubChem (CID 60943912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).