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

C15H16ClFN2O — CID 60942913

IUPAC5-[1-(3-chloro-4-fluorophenyl)ethylamino]-1-ethylpyridin-2-one
SMILESCCn1cc(NC(C)c2ccc(F)c(Cl)c2)ccc1=O
InChIInChI=1S/C15H16ClFN2O/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
InChIKeyLMPXBHDFUZLVJY-UHFFFAOYSA-N
MW294.76 g/mol
LogP3.83
Rot. Bonds4

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

5-[1-(3-chloro-4-fluorophenyl)ethylamino]-1-ethylpyridin-2-one (PubChem CID 60942913) has the molecular formula C15H16ClFN2O and a molecular weight of 294.76 g/mol. Its IUPAC name is 5-[1-(3-chloro-4-fluorophenyl)ethylamino]-1-ethylpyridin-2-one.

Molecular Properties

Compound Name5-[1-(3-chloro-4-fluorophenyl)ethylamino]-1-ethylpyridin-2-one
PubChem CID60942913
Molecular FormulaC15H16ClFN2O
Molecular Weight294.76 g/mol
Exact Mass294.09
IUPAC Name5-[1-(3-chloro-4-fluorophenyl)ethylamino]-1-ethylpyridin-2-one
SMILESCCn1cc(NC(C)c2ccc(F)c(Cl)c2)ccc1=O
InChIInChI=1S/C15H16ClFN2O/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
InChIKeyLMPXBHDFUZLVJY-UHFFFAOYSA-N
XLogP3.83
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[1-(3-bromo-4-fluorophenyl)ethylamino]-1-ethylpyridin-2-one
CID 60943912
5-[1-(3,5-dihydroxyphenyl)ethylamino]-1-ethylpyridin-2-one
CID 107706094
5-[1-(2,5-difluorophenyl)ethylamino]-1-ethylpyridin-2-one
CID 60942405
N-[1-(3-chloro-4-fluorophenyl)ethyl]-4-ethylaniline
CID 43102207
1-ethyl-5-[1-(4-nitrophenyl)ethylamino]pyridin-2-one
CID 60943542
4-[1-(3-chloro-4-fluorophenyl)ethylamino]benzoic acid
CID 43321605
5-(2,6-dimethylheptan-4-ylamino)-1-ethylpyridin-2-one
CID 54863810
N-[1-(3-chloro-4-fluorophenyl)ethyl]-3,4-dimethoxyaniline
CID 43108298
5-[1-(3-chloro-4-fluorophenyl)ethylamino]-2-methylphenol
CID 107700001
3-chloro-N-[1-(3-chloro-4-fluorophenyl)ethyl]-4-methoxyaniline
CID 43100313
4-[1-[(6-oxo-1-propyl-3-pyridinyl)amino]ethyl]benzonitrile
CID 60943308
N-[1-(3-chloro-4-fluorophenyl)ethyl]-6-methylsulfonylpyridin-3-amine
CID 43675151

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-chloro-4-fluorophenyl)ethylamino]-1-ethylpyridin-2-one?
The IUPAC name of 5-[1-(3-chloro-4-fluorophenyl)ethylamino]-1-ethylpyridin-2-one (CID 60942913) is 5-[1-(3-chloro-4-fluorophenyl)ethylamino]-1-ethylpyridin-2-one.
What is the SMILES notation for 5-[1-(3-chloro-4-fluorophenyl)ethylamino]-1-ethylpyridin-2-one?
The canonical SMILES for 5-[1-(3-chloro-4-fluorophenyl)ethylamino]-1-ethylpyridin-2-one is CCn1cc(NC(C)c2ccc(F)c(Cl)c2)ccc1=O.
What is the InChIKey of 5-[1-(3-chloro-4-fluorophenyl)ethylamino]-1-ethylpyridin-2-one?
The InChIKey is LMPXBHDFUZLVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2O/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-chloro-4-fluorophenyl)ethylamino]-1-ethylpyridin-2-one?
5-[1-(3-chloro-4-fluorophenyl)ethylamino]-1-ethylpyridin-2-one has a molecular weight of 294.76 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-chloro-4-fluorophenyl)ethylamino]-1-ethylpyridin-2-one is sourced from PubChem (CID 60942913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).