6-[2-bromo-4-(2-methoxyethoxy)phenyl]-1-ethyl-3,4-dihydropyridin-2-one

C16H20BrNO3 — CID 153451668

IUPAC6-[2-bromo-4-(2-methoxyethoxy)phenyl]-1-ethyl-3,4-dihydropyridin-2-one
SMILESCCN1C(=O)CCC=C1c1ccc(OCCOC)cc1Br
InChIInChI=1S/C16H20BrNO3/c1-3-18-15(5-4-6-16(18)19)13-8-7-12(11-14(13)17)21-10-9-20-2/h5,7-8,11H,3-4,6,9-10H2,1-2H3
InChIKeyFMYCQLLORSCYLL-UHFFFAOYSA-N
MW354.24 g/mol
LogP3.46
Rot. Bonds6

About 6-[2-bromo-4-(2-methoxyethoxy)phenyl]-1-ethyl-3,4-dihydropyridin-2-one

6-[2-bromo-4-(2-methoxyethoxy)phenyl]-1-ethyl-3,4-dihydropyridin-2-one (PubChem CID 153451668) has the molecular formula C16H20BrNO3 and a molecular weight of 354.24 g/mol. Its IUPAC name is 6-[2-bromo-4-(2-methoxyethoxy)phenyl]-1-ethyl-3,4-dihydropyridin-2-one.

Molecular Properties

Compound Name6-[2-bromo-4-(2-methoxyethoxy)phenyl]-1-ethyl-3,4-dihydropyridin-2-one
PubChem CID153451668
Molecular FormulaC16H20BrNO3
Molecular Weight354.24 g/mol
Exact Mass353.06
IUPAC Name6-[2-bromo-4-(2-methoxyethoxy)phenyl]-1-ethyl-3,4-dihydropyridin-2-one
SMILESCCN1C(=O)CCC=C1c1ccc(OCCOC)cc1Br
InChIInChI=1S/C16H20BrNO3/c1-3-18-15(5-4-6-16(18)19)13-8-7-12(11-14(13)17)21-10-9-20-2/h5,7-8,11H,3-4,6,9-10H2,1-2H3
InChIKeyFMYCQLLORSCYLL-UHFFFAOYSA-N
XLogP3.46
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.24
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[2-bromo-4-(2-methoxyethoxy)phenyl]-1-ethyl-3,4-dihydropyridin-2-one?
The IUPAC name of 6-[2-bromo-4-(2-methoxyethoxy)phenyl]-1-ethyl-3,4-dihydropyridin-2-one (CID 153451668) is 6-[2-bromo-4-(2-methoxyethoxy)phenyl]-1-ethyl-3,4-dihydropyridin-2-one.
What is the SMILES notation for 6-[2-bromo-4-(2-methoxyethoxy)phenyl]-1-ethyl-3,4-dihydropyridin-2-one?
The canonical SMILES for 6-[2-bromo-4-(2-methoxyethoxy)phenyl]-1-ethyl-3,4-dihydropyridin-2-one is CCN1C(=O)CCC=C1c1ccc(OCCOC)cc1Br.
What is the InChIKey of 6-[2-bromo-4-(2-methoxyethoxy)phenyl]-1-ethyl-3,4-dihydropyridin-2-one?
The InChIKey is FMYCQLLORSCYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNO3/c1-3-18-15(5-4-6-16(18)19)13-8-7-12(11-14(13)17)21-10-9-20-2/h5,7-8,11H,3-4,6,9-10H2,1-2H3.
What are the key properties of 6-[2-bromo-4-(2-methoxyethoxy)phenyl]-1-ethyl-3,4-dihydropyridin-2-one?
6-[2-bromo-4-(2-methoxyethoxy)phenyl]-1-ethyl-3,4-dihydropyridin-2-one has a molecular weight of 354.24 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-bromo-4-(2-methoxyethoxy)phenyl]-1-ethyl-3,4-dihydropyridin-2-one is sourced from PubChem (CID 153451668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).