4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[(4-phenylphenyl)methyl]pyridin-2-one

C26H21F2NO2 — CID 122178645

IUPAC4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[(4-phenylphenyl)methyl]pyridin-2-one
SMILESCc1cc(OCc2ccc(F)cc2F)cc(=O)n1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H21F2NO2/c1-18-13-24(31-17-22-11-12-23(27)14-25(22)28)15-26(30)29(18)16-19-7-9-21(10-8-19)20-5-3-2-4-6-20/h2-15H,16-17H2,1H3
InChIKeyHHPOJXZJLHRKKU-UHFFFAOYSA-N
MW417.46 g/mol
LogP5.73
Rot. Bonds6

About 4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[(4-phenylphenyl)methyl]pyridin-2-one

4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[(4-phenylphenyl)methyl]pyridin-2-one (PubChem CID 122178645) has the molecular formula C26H21F2NO2 and a molecular weight of 417.46 g/mol. Its IUPAC name is 4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[(4-phenylphenyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[(4-phenylphenyl)methyl]pyridin-2-one
PubChem CID122178645
Molecular FormulaC26H21F2NO2
Molecular Weight417.46 g/mol
Exact Mass417.15
IUPAC Name4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[(4-phenylphenyl)methyl]pyridin-2-one
SMILESCc1cc(OCc2ccc(F)cc2F)cc(=O)n1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H21F2NO2/c1-18-13-24(31-17-22-11-12-23(27)14-25(22)28)15-26(30)29(18)16-19-7-9-21(10-8-19)20-5-3-2-4-6-20/h2-15H,16-17H2,1H3
InChIKeyHHPOJXZJLHRKKU-UHFFFAOYSA-N
XLogP5.73
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.46
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[(4-phenylphenyl)methyl]pyridin-2-one?
The IUPAC name of 4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[(4-phenylphenyl)methyl]pyridin-2-one (CID 122178645) is 4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[(4-phenylphenyl)methyl]pyridin-2-one.
What is the SMILES notation for 4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[(4-phenylphenyl)methyl]pyridin-2-one?
The canonical SMILES for 4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[(4-phenylphenyl)methyl]pyridin-2-one is Cc1cc(OCc2ccc(F)cc2F)cc(=O)n1Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[(4-phenylphenyl)methyl]pyridin-2-one?
The InChIKey is HHPOJXZJLHRKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F2NO2/c1-18-13-24(31-17-22-11-12-23(27)14-25(22)28)15-26(30)29(18)16-19-7-9-21(10-8-19)20-5-3-2-4-6-20/h2-15H,16-17H2,1H3.
What are the key properties of 4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[(4-phenylphenyl)methyl]pyridin-2-one?
4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[(4-phenylphenyl)methyl]pyridin-2-one has a molecular weight of 417.46 g/mol, XLogP of 5.73, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[(4-phenylphenyl)methyl]pyridin-2-one is sourced from PubChem (CID 122178645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).