1-[2-(2-bromo-4,5-dimethoxyphenyl)acetyl]-2-phenyl-2,3-dihydropyridin-4-one

C21H20BrNO4 — CID 46834941

IUPAC1-[2-(2-bromo-4,5-dimethoxyphenyl)acetyl]-2-phenyl-2,3-dihydropyridin-4-one
SMILESCOc1cc(Br)c(CC(=O)N2C=CC(=O)CC2c2ccccc2)cc1OC
InChIInChI=1S/C21H20BrNO4/c1-26-19-10-15(17(22)13-20(19)27-2)11-21(25)23-9-8-16(24)12-18(23)14-6-4-3-5-7-14/h3-10,13,18H,11-12H2,1-2H3
InChIKeyFQOROXQYOIEESQ-UHFFFAOYSA-N
MW430.30 g/mol
LogP4.07
Rot. Bonds5

About 1-[2-(2-bromo-4,5-dimethoxyphenyl)acetyl]-2-phenyl-2,3-dihydropyridin-4-one

1-[2-(2-bromo-4,5-dimethoxyphenyl)acetyl]-2-phenyl-2,3-dihydropyridin-4-one (PubChem CID 46834941) has the molecular formula C21H20BrNO4 and a molecular weight of 430.30 g/mol. Its IUPAC name is 1-[2-(2-bromo-4,5-dimethoxyphenyl)acetyl]-2-phenyl-2,3-dihydropyridin-4-one.

Molecular Properties

Compound Name1-[2-(2-bromo-4,5-dimethoxyphenyl)acetyl]-2-phenyl-2,3-dihydropyridin-4-one
PubChem CID46834941
Molecular FormulaC21H20BrNO4
Molecular Weight430.30 g/mol
Exact Mass429.06
IUPAC Name1-[2-(2-bromo-4,5-dimethoxyphenyl)acetyl]-2-phenyl-2,3-dihydropyridin-4-one
SMILESCOc1cc(Br)c(CC(=O)N2C=CC(=O)CC2c2ccccc2)cc1OC
InChIInChI=1S/C21H20BrNO4/c1-26-19-10-15(17(22)13-20(19)27-2)11-21(25)23-9-8-16(24)12-18(23)14-6-4-3-5-7-14/h3-10,13,18H,11-12H2,1-2H3
InChIKeyFQOROXQYOIEESQ-UHFFFAOYSA-N
XLogP4.07
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.30
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bromo-4,5-dimethoxyphenyl)acetyl]-2-phenyl-2,3-dihydropyridin-4-one?
The IUPAC name of 1-[2-(2-bromo-4,5-dimethoxyphenyl)acetyl]-2-phenyl-2,3-dihydropyridin-4-one (CID 46834941) is 1-[2-(2-bromo-4,5-dimethoxyphenyl)acetyl]-2-phenyl-2,3-dihydropyridin-4-one.
What is the SMILES notation for 1-[2-(2-bromo-4,5-dimethoxyphenyl)acetyl]-2-phenyl-2,3-dihydropyridin-4-one?
The canonical SMILES for 1-[2-(2-bromo-4,5-dimethoxyphenyl)acetyl]-2-phenyl-2,3-dihydropyridin-4-one is COc1cc(Br)c(CC(=O)N2C=CC(=O)CC2c2ccccc2)cc1OC.
What is the InChIKey of 1-[2-(2-bromo-4,5-dimethoxyphenyl)acetyl]-2-phenyl-2,3-dihydropyridin-4-one?
The InChIKey is FQOROXQYOIEESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrNO4/c1-26-19-10-15(17(22)13-20(19)27-2)11-21(25)23-9-8-16(24)12-18(23)14-6-4-3-5-7-14/h3-10,13,18H,11-12H2,1-2H3.
What are the key properties of 1-[2-(2-bromo-4,5-dimethoxyphenyl)acetyl]-2-phenyl-2,3-dihydropyridin-4-one?
1-[2-(2-bromo-4,5-dimethoxyphenyl)acetyl]-2-phenyl-2,3-dihydropyridin-4-one has a molecular weight of 430.30 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bromo-4,5-dimethoxyphenyl)acetyl]-2-phenyl-2,3-dihydropyridin-4-one is sourced from PubChem (CID 46834941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).