5-[1-(5-bromo-2-fluorophenyl)ethylamino]-1-propylpyridin-2-one

C16H18BrFN2O — CID 82963864

IUPAC5-[1-(5-bromo-2-fluorophenyl)ethylamino]-1-propylpyridin-2-one
SMILESCCCn1cc(NC(C)c2cc(Br)ccc2F)ccc1=O
InChIInChI=1S/C16H18BrFN2O/c1-3-8-20-10-13(5-7-16(20)21)19-11(2)14-9-12(17)4-6-15(14)18/h4-7,9-11,19H,3,8H2,1-2H3
InChIKeyGUDSAFKWBWNKMC-UHFFFAOYSA-N
MW353.24 g/mol
LogP4.33
Rot. Bonds5

About 5-[1-(5-bromo-2-fluorophenyl)ethylamino]-1-propylpyridin-2-one

5-[1-(5-bromo-2-fluorophenyl)ethylamino]-1-propylpyridin-2-one (PubChem CID 82963864) has the molecular formula C16H18BrFN2O and a molecular weight of 353.24 g/mol. Its IUPAC name is 5-[1-(5-bromo-2-fluorophenyl)ethylamino]-1-propylpyridin-2-one.

Molecular Properties

Compound Name5-[1-(5-bromo-2-fluorophenyl)ethylamino]-1-propylpyridin-2-one
PubChem CID82963864
Molecular FormulaC16H18BrFN2O
Molecular Weight353.24 g/mol
Exact Mass352.06
IUPAC Name5-[1-(5-bromo-2-fluorophenyl)ethylamino]-1-propylpyridin-2-one
SMILESCCCn1cc(NC(C)c2cc(Br)ccc2F)ccc1=O
InChIInChI=1S/C16H18BrFN2O/c1-3-8-20-10-13(5-7-16(20)21)19-11(2)14-9-12(17)4-6-15(14)18/h4-7,9-11,19H,3,8H2,1-2H3
InChIKeyGUDSAFKWBWNKMC-UHFFFAOYSA-N
XLogP4.33
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.24
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[1-(2,5-difluorophenyl)ethylamino]-1-ethylpyridin-2-one
CID 60942405
5-[1-(2,4-dimethylphenyl)ethylamino]-1-propylpyridin-2-one
CID 60943688
5-[1-(3-bromo-4-fluorophenyl)ethylamino]-1-ethylpyridin-2-one
CID 60943912
4-[1-(5-bromo-2-fluorophenyl)ethylamino]phenol
CID 82964843
N-[1-(5-bromo-2-fluorophenyl)ethyl]-4-fluoro-3-methylaniline
CID 82964329
4-[1-[(6-oxo-1-propyl-3-pyridinyl)amino]ethyl]benzonitrile
CID 60943308
N-[1-(5-bromo-2-fluorophenyl)ethyl]-3-ethyl-1-methylpyrazol-4-amine
CID 103932643
5-[1-(4-fluorophenyl)propan-2-ylamino]-1-propylpyridin-2-one
CID 114829289
5-[1-(3-chloro-4-fluorophenyl)ethylamino]-1-ethylpyridin-2-one
CID 60942913
3-bromo-4-fluoro-N-(6-oxo-1-propyl-3-pyridinyl)benzamide
CID 103706931
N-[1-(5-bromo-2-fluorophenyl)ethyl]-3-chloro-4-nitroaniline
CID 82962942
5-bromo-N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-fluoroaniline
CID 82963196

Frequently Asked Questions

What is the IUPAC name of 5-[1-(5-bromo-2-fluorophenyl)ethylamino]-1-propylpyridin-2-one?
The IUPAC name of 5-[1-(5-bromo-2-fluorophenyl)ethylamino]-1-propylpyridin-2-one (CID 82963864) is 5-[1-(5-bromo-2-fluorophenyl)ethylamino]-1-propylpyridin-2-one.
What is the SMILES notation for 5-[1-(5-bromo-2-fluorophenyl)ethylamino]-1-propylpyridin-2-one?
The canonical SMILES for 5-[1-(5-bromo-2-fluorophenyl)ethylamino]-1-propylpyridin-2-one is CCCn1cc(NC(C)c2cc(Br)ccc2F)ccc1=O.
What is the InChIKey of 5-[1-(5-bromo-2-fluorophenyl)ethylamino]-1-propylpyridin-2-one?
The InChIKey is GUDSAFKWBWNKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrFN2O/c1-3-8-20-10-13(5-7-16(20)21)19-11(2)14-9-12(17)4-6-15(14)18/h4-7,9-11,19H,3,8H2,1-2H3.
What are the key properties of 5-[1-(5-bromo-2-fluorophenyl)ethylamino]-1-propylpyridin-2-one?
5-[1-(5-bromo-2-fluorophenyl)ethylamino]-1-propylpyridin-2-one has a molecular weight of 353.24 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(5-bromo-2-fluorophenyl)ethylamino]-1-propylpyridin-2-one is sourced from PubChem (CID 82963864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).