1-(2,3-dimethylphenyl)-2-(2,4,6-trifluorophenyl)-2,3-dihydropyridin-4-one

C19H16F3NO — CID 142452884

IUPAC1-(2,3-dimethylphenyl)-2-(2,4,6-trifluorophenyl)-2,3-dihydropyridin-4-one
SMILESCc1cccc(N2C=CC(=O)CC2c2c(F)cc(F)cc2F)c1C
InChIInChI=1S/C19H16F3NO/c1-11-4-3-5-17(12(11)2)23-7-6-14(24)10-18(23)19-15(21)8-13(20)9-16(19)22/h3-9,18H,10H2,1-2H3
InChIKeyJSDWXVASDOHYLO-UHFFFAOYSA-N
MW331.34 g/mol
LogP4.75
Rot. Bonds2

About 1-(2,3-dimethylphenyl)-2-(2,4,6-trifluorophenyl)-2,3-dihydropyridin-4-one

1-(2,3-dimethylphenyl)-2-(2,4,6-trifluorophenyl)-2,3-dihydropyridin-4-one (PubChem CID 142452884) has the molecular formula C19H16F3NO and a molecular weight of 331.34 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-2-(2,4,6-trifluorophenyl)-2,3-dihydropyridin-4-one.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-2-(2,4,6-trifluorophenyl)-2,3-dihydropyridin-4-one
PubChem CID142452884
Molecular FormulaC19H16F3NO
Molecular Weight331.34 g/mol
Exact Mass331.12
IUPAC Name1-(2,3-dimethylphenyl)-2-(2,4,6-trifluorophenyl)-2,3-dihydropyridin-4-one
SMILESCc1cccc(N2C=CC(=O)CC2c2c(F)cc(F)cc2F)c1C
InChIInChI=1S/C19H16F3NO/c1-11-4-3-5-17(12(11)2)23-7-6-14(24)10-18(23)19-15(21)8-13(20)9-16(19)22/h3-9,18H,10H2,1-2H3
InChIKeyJSDWXVASDOHYLO-UHFFFAOYSA-N
XLogP4.75
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-2-(2,4,6-trifluorophenyl)-2,3-dihydropyridin-4-one?
The IUPAC name of 1-(2,3-dimethylphenyl)-2-(2,4,6-trifluorophenyl)-2,3-dihydropyridin-4-one (CID 142452884) is 1-(2,3-dimethylphenyl)-2-(2,4,6-trifluorophenyl)-2,3-dihydropyridin-4-one.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-2-(2,4,6-trifluorophenyl)-2,3-dihydropyridin-4-one?
The canonical SMILES for 1-(2,3-dimethylphenyl)-2-(2,4,6-trifluorophenyl)-2,3-dihydropyridin-4-one is Cc1cccc(N2C=CC(=O)CC2c2c(F)cc(F)cc2F)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-2-(2,4,6-trifluorophenyl)-2,3-dihydropyridin-4-one?
The InChIKey is JSDWXVASDOHYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3NO/c1-11-4-3-5-17(12(11)2)23-7-6-14(24)10-18(23)19-15(21)8-13(20)9-16(19)22/h3-9,18H,10H2,1-2H3.
What are the key properties of 1-(2,3-dimethylphenyl)-2-(2,4,6-trifluorophenyl)-2,3-dihydropyridin-4-one?
1-(2,3-dimethylphenyl)-2-(2,4,6-trifluorophenyl)-2,3-dihydropyridin-4-one has a molecular weight of 331.34 g/mol, XLogP of 4.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-2-(2,4,6-trifluorophenyl)-2,3-dihydropyridin-4-one is sourced from PubChem (CID 142452884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).