5-bromo-1-[3-(4-methoxyphenyl)propanoyl]-2,3-dihydropyridin-6-one

C15H16BrNO3 — CID 153363857

IUPAC5-bromo-1-[3-(4-methoxyphenyl)propanoyl]-2,3-dihydropyridin-6-one
SMILESCOc1ccc(CCC(=O)N2CCC=C(Br)C2=O)cc1
InChIInChI=1S/C15H16BrNO3/c1-20-12-7-4-11(5-8-12)6-9-14(18)17-10-2-3-13(16)15(17)19/h3-5,7-8H,2,6,9-10H2,1H3
InChIKeyFAPMQLXIKYFWBS-UHFFFAOYSA-N
MW338.20 g/mol
LogP2.67
Rot. Bonds4

About 5-bromo-1-[3-(4-methoxyphenyl)propanoyl]-2,3-dihydropyridin-6-one

5-bromo-1-[3-(4-methoxyphenyl)propanoyl]-2,3-dihydropyridin-6-one (PubChem CID 153363857) has the molecular formula C15H16BrNO3 and a molecular weight of 338.20 g/mol. Its IUPAC name is 5-bromo-1-[3-(4-methoxyphenyl)propanoyl]-2,3-dihydropyridin-6-one.

Molecular Properties

Compound Name5-bromo-1-[3-(4-methoxyphenyl)propanoyl]-2,3-dihydropyridin-6-one
PubChem CID153363857
Molecular FormulaC15H16BrNO3
Molecular Weight338.20 g/mol
Exact Mass337.03
IUPAC Name5-bromo-1-[3-(4-methoxyphenyl)propanoyl]-2,3-dihydropyridin-6-one
SMILESCOc1ccc(CCC(=O)N2CCC=C(Br)C2=O)cc1
InChIInChI=1S/C15H16BrNO3/c1-20-12-7-4-11(5-8-12)6-9-14(18)17-10-2-3-13(16)15(17)19/h3-5,7-8H,2,6,9-10H2,1H3
InChIKeyFAPMQLXIKYFWBS-UHFFFAOYSA-N
XLogP2.67
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.20
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-bis[3-(4-methoxyphenyl)propanoyl]imidazolidin-2-one
CID 102045392
1-[3-(4-methoxyphenyl)propanoyl]piperidin-2-one
CID 101318471
3-[3-(4-methoxyphenyl)propanoyl]-1,3-oxazolidin-2-one
CID 143433402
1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-2-one
CID 102373052
3-(4-methoxyphenyl)-1-[4-[3-(4-methoxyphenyl)propanoyl]-2,5-dimethylpiperazin-1-yl]propan-1-one
CID 4229113
1-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]butan-1-one
CID 110365914
1-[4-(3-aminopropanoyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 119306765
2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]acetic acid
CID 119134967
1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 4815524
ethyl 4-[3-(4-methoxyphenyl)propanoyl]-1,4-diazepane-1-carboxylate
CID 110799154
3-(4-methoxyphenyl)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 4822535
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 110346884

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[3-(4-methoxyphenyl)propanoyl]-2,3-dihydropyridin-6-one?
The IUPAC name of 5-bromo-1-[3-(4-methoxyphenyl)propanoyl]-2,3-dihydropyridin-6-one (CID 153363857) is 5-bromo-1-[3-(4-methoxyphenyl)propanoyl]-2,3-dihydropyridin-6-one.
What is the SMILES notation for 5-bromo-1-[3-(4-methoxyphenyl)propanoyl]-2,3-dihydropyridin-6-one?
The canonical SMILES for 5-bromo-1-[3-(4-methoxyphenyl)propanoyl]-2,3-dihydropyridin-6-one is COc1ccc(CCC(=O)N2CCC=C(Br)C2=O)cc1.
What is the InChIKey of 5-bromo-1-[3-(4-methoxyphenyl)propanoyl]-2,3-dihydropyridin-6-one?
The InChIKey is FAPMQLXIKYFWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO3/c1-20-12-7-4-11(5-8-12)6-9-14(18)17-10-2-3-13(16)15(17)19/h3-5,7-8H,2,6,9-10H2,1H3.
What are the key properties of 5-bromo-1-[3-(4-methoxyphenyl)propanoyl]-2,3-dihydropyridin-6-one?
5-bromo-1-[3-(4-methoxyphenyl)propanoyl]-2,3-dihydropyridin-6-one has a molecular weight of 338.20 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[3-(4-methoxyphenyl)propanoyl]-2,3-dihydropyridin-6-one is sourced from PubChem (CID 153363857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).