6-(2-bromo-4-ethoxyphenyl)-1-ethyl-3,4-dihydropyridin-2-one

C15H18BrNO2 — CID 153450359

IUPAC6-(2-bromo-4-ethoxyphenyl)-1-ethyl-3,4-dihydropyridin-2-one
SMILESCCOc1ccc(C2=CCCC(=O)N2CC)c(Br)c1
InChIInChI=1S/C15H18BrNO2/c1-3-17-14(6-5-7-15(17)18)12-9-8-11(19-4-2)10-13(12)16/h6,8-10H,3-5,7H2,1-2H3
InChIKeyFVBYHWQWUWLRKE-UHFFFAOYSA-N
MW324.22 g/mol
LogP3.83
Rot. Bonds4

About 6-(2-bromo-4-ethoxyphenyl)-1-ethyl-3,4-dihydropyridin-2-one

6-(2-bromo-4-ethoxyphenyl)-1-ethyl-3,4-dihydropyridin-2-one (PubChem CID 153450359) has the molecular formula C15H18BrNO2 and a molecular weight of 324.22 g/mol. Its IUPAC name is 6-(2-bromo-4-ethoxyphenyl)-1-ethyl-3,4-dihydropyridin-2-one.

Molecular Properties

Compound Name6-(2-bromo-4-ethoxyphenyl)-1-ethyl-3,4-dihydropyridin-2-one
PubChem CID153450359
Molecular FormulaC15H18BrNO2
Molecular Weight324.22 g/mol
Exact Mass323.05
IUPAC Name6-(2-bromo-4-ethoxyphenyl)-1-ethyl-3,4-dihydropyridin-2-one
SMILESCCOc1ccc(C2=CCCC(=O)N2CC)c(Br)c1
InChIInChI=1S/C15H18BrNO2/c1-3-17-14(6-5-7-15(17)18)12-9-8-11(19-4-2)10-13(12)16/h6,8-10H,3-5,7H2,1-2H3
InChIKeyFVBYHWQWUWLRKE-UHFFFAOYSA-N
XLogP3.83
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-[2-bromo-4-(2-methoxyethoxy)phenyl]-1-ethyl-3,4-dihydropyridin-2-one
CID 153451668
6-(2-chloro-4-prop-2-enoxyphenyl)-1-ethyl-3,4-dihydropyridin-2-one
CID 153451217
6-(4-chloro-2-methylphenyl)-1-ethyl-3,4-dihydropyridin-2-one
CID 153450493
6-(4-ethoxy-2-fluorophenyl)-1-ethyl-3-iodo-3,4-dihydropyridin-2-one
CID 153451550
3-bromo-6-(2-bromo-4-ethoxyphenyl)-1-(2,2-difluoroethyl)pyridin-2-one
CID 158124370
6-(4-but-2-ynoxy-2-chlorophenyl)-1-(2,2-difluoroethyl)-3,4-dihydropyridin-2-one
CID 153450943
3-bromo-6-[2-bromo-4-(methoxymethoxy)phenyl]-1-(2,2-difluoroethyl)-3,4-dihydropyridin-2-one
CID 153451001
3-bromo-6-(2-bromo-4-chlorophenyl)-1-ethyl-3,4-dihydropyridin-2-one
CID 153450717
6-(2-bromo-4-ethoxyphenyl)-1-(2,2-difluoroethyl)-3-iodo-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
CID 153450732
3-bromo-6-(2-chloro-4-ethoxyphenyl)-1-ethyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
CID 153450736
1-(2,2-difluoroethyl)-6-(4-ethoxy-2-fluorophenyl)-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
CID 153451775
6-(2-bromo-4-prop-2-ynoxyphenyl)-3-chloro-1-ethyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
CID 153451252

Frequently Asked Questions

What is the IUPAC name of 6-(2-bromo-4-ethoxyphenyl)-1-ethyl-3,4-dihydropyridin-2-one?
The IUPAC name of 6-(2-bromo-4-ethoxyphenyl)-1-ethyl-3,4-dihydropyridin-2-one (CID 153450359) is 6-(2-bromo-4-ethoxyphenyl)-1-ethyl-3,4-dihydropyridin-2-one.
What is the SMILES notation for 6-(2-bromo-4-ethoxyphenyl)-1-ethyl-3,4-dihydropyridin-2-one?
The canonical SMILES for 6-(2-bromo-4-ethoxyphenyl)-1-ethyl-3,4-dihydropyridin-2-one is CCOc1ccc(C2=CCCC(=O)N2CC)c(Br)c1.
What is the InChIKey of 6-(2-bromo-4-ethoxyphenyl)-1-ethyl-3,4-dihydropyridin-2-one?
The InChIKey is FVBYHWQWUWLRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO2/c1-3-17-14(6-5-7-15(17)18)12-9-8-11(19-4-2)10-13(12)16/h6,8-10H,3-5,7H2,1-2H3.
What are the key properties of 6-(2-bromo-4-ethoxyphenyl)-1-ethyl-3,4-dihydropyridin-2-one?
6-(2-bromo-4-ethoxyphenyl)-1-ethyl-3,4-dihydropyridin-2-one has a molecular weight of 324.22 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromo-4-ethoxyphenyl)-1-ethyl-3,4-dihydropyridin-2-one is sourced from PubChem (CID 153450359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).