1-[2-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]acetyl]-2-phenyl-2,3-dihydropyridin-4-one

C22H20F3NO4 — CID 46830619

IUPAC1-[2-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]acetyl]-2-phenyl-2,3-dihydropyridin-4-one
SMILESCOc1cc(CC(=O)N2C=CC(=O)CC2c2ccccc2)c(C(F)(F)F)cc1OC
InChIInChI=1S/C22H20F3NO4/c1-29-19-10-15(17(22(23,24)25)13-20(19)30-2)11-21(28)26-9-8-16(27)12-18(26)14-6-4-3-5-7-14/h3-10,13,18H,11-12H2,1-2H3
InChIKeyAIJLSRAQTXMXHU-UHFFFAOYSA-N
MW419.40 g/mol
LogP4.32
Rot. Bonds5

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

1-[2-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]acetyl]-2-phenyl-2,3-dihydropyridin-4-one (PubChem CID 46830619) has the molecular formula C22H20F3NO4 and a molecular weight of 419.40 g/mol. Its IUPAC name is 1-[2-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]acetyl]-2-phenyl-2,3-dihydropyridin-4-one.

Molecular Properties

Compound Name1-[2-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]acetyl]-2-phenyl-2,3-dihydropyridin-4-one
PubChem CID46830619
Molecular FormulaC22H20F3NO4
Molecular Weight419.40 g/mol
Exact Mass419.13
IUPAC Name1-[2-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]acetyl]-2-phenyl-2,3-dihydropyridin-4-one
SMILESCOc1cc(CC(=O)N2C=CC(=O)CC2c2ccccc2)c(C(F)(F)F)cc1OC
InChIInChI=1S/C22H20F3NO4/c1-29-19-10-15(17(22(23,24)25)13-20(19)30-2)11-21(28)26-9-8-16(27)12-18(26)14-6-4-3-5-7-14/h3-10,13,18H,11-12H2,1-2H3
InChIKeyAIJLSRAQTXMXHU-UHFFFAOYSA-N
XLogP4.32
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.40
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]acetyl]-2-phenyl-2,3-dihydropyridin-4-one?
The IUPAC name of 1-[2-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]acetyl]-2-phenyl-2,3-dihydropyridin-4-one (CID 46830619) is 1-[2-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]acetyl]-2-phenyl-2,3-dihydropyridin-4-one.
What is the SMILES notation for 1-[2-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]acetyl]-2-phenyl-2,3-dihydropyridin-4-one?
The canonical SMILES for 1-[2-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]acetyl]-2-phenyl-2,3-dihydropyridin-4-one is COc1cc(CC(=O)N2C=CC(=O)CC2c2ccccc2)c(C(F)(F)F)cc1OC.
What is the InChIKey of 1-[2-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]acetyl]-2-phenyl-2,3-dihydropyridin-4-one?
The InChIKey is AIJLSRAQTXMXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3NO4/c1-29-19-10-15(17(22(23,24)25)13-20(19)30-2)11-21(28)26-9-8-16(27)12-18(26)14-6-4-3-5-7-14/h3-10,13,18H,11-12H2,1-2H3.
What are the key properties of 1-[2-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]acetyl]-2-phenyl-2,3-dihydropyridin-4-one?
1-[2-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]acetyl]-2-phenyl-2,3-dihydropyridin-4-one has a molecular weight of 419.40 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]acetyl]-2-phenyl-2,3-dihydropyridin-4-one is sourced from PubChem (CID 46830619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).