4-[(2,4-difluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]-3-methylpyridin-2-one

C20H16F3NO2 — CID 11739863

IUPAC4-[(2,4-difluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]-3-methylpyridin-2-one
SMILESCc1c(OCc2ccc(F)cc2F)ccn(Cc2cccc(F)c2)c1=O
InChIInChI=1S/C20H16F3NO2/c1-13-19(26-12-15-5-6-17(22)10-18(15)23)7-8-24(20(13)25)11-14-3-2-4-16(21)9-14/h2-10H,11-12H2,1H3
InChIKeyQNUGQQOIKDMWQE-UHFFFAOYSA-N
MW359.35 g/mol
LogP4.20
Rot. Bonds5

About 4-[(2,4-difluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]-3-methylpyridin-2-one

4-[(2,4-difluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]-3-methylpyridin-2-one (PubChem CID 11739863) has the molecular formula C20H16F3NO2 and a molecular weight of 359.35 g/mol. Its IUPAC name is 4-[(2,4-difluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]-3-methylpyridin-2-one.

Molecular Properties

Compound Name4-[(2,4-difluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]-3-methylpyridin-2-one
PubChem CID11739863
Molecular FormulaC20H16F3NO2
Molecular Weight359.35 g/mol
Exact Mass359.11
IUPAC Name4-[(2,4-difluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]-3-methylpyridin-2-one
SMILESCc1c(OCc2ccc(F)cc2F)ccn(Cc2cccc(F)c2)c1=O
InChIInChI=1S/C20H16F3NO2/c1-13-19(26-12-15-5-6-17(22)10-18(15)23)7-8-24(20(13)25)11-14-3-2-4-16(21)9-14/h2-10H,11-12H2,1H3
InChIKeyQNUGQQOIKDMWQE-UHFFFAOYSA-N
XLogP4.20
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 54.20
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]-1-[(3-fluorophenyl)methyl]-3-methylpyridin-2-one?
The IUPAC name of 4-[(2,4-difluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]-3-methylpyridin-2-one (CID 11739863) is 4-[(2,4-difluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]-3-methylpyridin-2-one.
What is the SMILES notation for 4-[(2,4-difluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]-3-methylpyridin-2-one?
The canonical SMILES for 4-[(2,4-difluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]-3-methylpyridin-2-one is Cc1c(OCc2ccc(F)cc2F)ccn(Cc2cccc(F)c2)c1=O.
What is the InChIKey of 4-[(2,4-difluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]-3-methylpyridin-2-one?
The InChIKey is QNUGQQOIKDMWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3NO2/c1-13-19(26-12-15-5-6-17(22)10-18(15)23)7-8-24(20(13)25)11-14-3-2-4-16(21)9-14/h2-10H,11-12H2,1H3.
What are the key properties of 4-[(2,4-difluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]-3-methylpyridin-2-one?
4-[(2,4-difluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]-3-methylpyridin-2-one has a molecular weight of 359.35 g/mol, XLogP of 4.20, 5 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]-1-[(3-fluorophenyl)methyl]-3-methylpyridin-2-one is sourced from PubChem (CID 11739863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).