1-benzyl-6-methyl-4-[4-(trifluoromethyl)phenyl]pyridin-2-one

C20H16F3NO — CID 102596732

IUPAC1-benzyl-6-methyl-4-[4-(trifluoromethyl)phenyl]pyridin-2-one
SMILESCc1cc(-c2ccc(C(F)(F)F)cc2)cc(=O)n1Cc1ccccc1
InChIInChI=1S/C20H16F3NO/c1-14-11-17(16-7-9-18(10-8-16)20(21,22)23)12-19(25)24(14)13-15-5-3-2-4-6-15/h2-12H,13H2,1H3
InChIKeyCLTGOEPYFHCPJV-UHFFFAOYSA-N
MW343.35 g/mol
LogP4.89
Rot. Bonds3

About 1-benzyl-6-methyl-4-[4-(trifluoromethyl)phenyl]pyridin-2-one

1-benzyl-6-methyl-4-[4-(trifluoromethyl)phenyl]pyridin-2-one (PubChem CID 102596732) has the molecular formula C20H16F3NO and a molecular weight of 343.35 g/mol. Its IUPAC name is 1-benzyl-6-methyl-4-[4-(trifluoromethyl)phenyl]pyridin-2-one.

Molecular Properties

Compound Name1-benzyl-6-methyl-4-[4-(trifluoromethyl)phenyl]pyridin-2-one
PubChem CID102596732
Molecular FormulaC20H16F3NO
Molecular Weight343.35 g/mol
Exact Mass343.12
IUPAC Name1-benzyl-6-methyl-4-[4-(trifluoromethyl)phenyl]pyridin-2-one
SMILESCc1cc(-c2ccc(C(F)(F)F)cc2)cc(=O)n1Cc1ccccc1
InChIInChI=1S/C20H16F3NO/c1-14-11-17(16-7-9-18(10-8-16)20(21,22)23)12-19(25)24(14)13-15-5-3-2-4-6-15/h2-12H,13H2,1H3
InChIKeyCLTGOEPYFHCPJV-UHFFFAOYSA-N
XLogP4.89
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-methyl-4-[4-(trifluoromethyl)phenyl]pyridin-2-one?
The IUPAC name of 1-benzyl-6-methyl-4-[4-(trifluoromethyl)phenyl]pyridin-2-one (CID 102596732) is 1-benzyl-6-methyl-4-[4-(trifluoromethyl)phenyl]pyridin-2-one.
What is the SMILES notation for 1-benzyl-6-methyl-4-[4-(trifluoromethyl)phenyl]pyridin-2-one?
The canonical SMILES for 1-benzyl-6-methyl-4-[4-(trifluoromethyl)phenyl]pyridin-2-one is Cc1cc(-c2ccc(C(F)(F)F)cc2)cc(=O)n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-6-methyl-4-[4-(trifluoromethyl)phenyl]pyridin-2-one?
The InChIKey is CLTGOEPYFHCPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3NO/c1-14-11-17(16-7-9-18(10-8-16)20(21,22)23)12-19(25)24(14)13-15-5-3-2-4-6-15/h2-12H,13H2,1H3.
What are the key properties of 1-benzyl-6-methyl-4-[4-(trifluoromethyl)phenyl]pyridin-2-one?
1-benzyl-6-methyl-4-[4-(trifluoromethyl)phenyl]pyridin-2-one has a molecular weight of 343.35 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-methyl-4-[4-(trifluoromethyl)phenyl]pyridin-2-one is sourced from PubChem (CID 102596732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).