4-[[2-(aminomethyl)-4-fluorophenyl]methoxy]-3-chloro-1-(2,6-difluorophenyl)-6-methylpyridin-2-one

C20H16ClF3N2O2 — CID 21035336

IUPAC4-[[2-(aminomethyl)-4-fluorophenyl]methoxy]-3-chloro-1-(2,6-difluorophenyl)-6-methylpyridin-2-one
SMILESCc1cc(OCc2ccc(F)cc2CN)c(Cl)c(=O)n1-c1c(F)cccc1F
InChIInChI=1S/C20H16ClF3N2O2/c1-11-7-17(28-10-12-5-6-14(22)8-13(12)9-25)18(21)20(27)26(11)19-15(23)3-2-4-16(19)24/h2-8H,9-10,25H2,1H3
InChIKeyZOTANEDNGGFJTG-UHFFFAOYSA-N
MW408.81 g/mol
LogP4.25
Rot. Bonds5

About 4-[[2-(aminomethyl)-4-fluorophenyl]methoxy]-3-chloro-1-(2,6-difluorophenyl)-6-methylpyridin-2-one

4-[[2-(aminomethyl)-4-fluorophenyl]methoxy]-3-chloro-1-(2,6-difluorophenyl)-6-methylpyridin-2-one (PubChem CID 21035336) has the molecular formula C20H16ClF3N2O2 and a molecular weight of 408.81 g/mol. Its IUPAC name is 4-[[2-(aminomethyl)-4-fluorophenyl]methoxy]-3-chloro-1-(2,6-difluorophenyl)-6-methylpyridin-2-one.

Molecular Properties

Compound Name4-[[2-(aminomethyl)-4-fluorophenyl]methoxy]-3-chloro-1-(2,6-difluorophenyl)-6-methylpyridin-2-one
PubChem CID21035336
Molecular FormulaC20H16ClF3N2O2
Molecular Weight408.81 g/mol
Exact Mass408.09
IUPAC Name4-[[2-(aminomethyl)-4-fluorophenyl]methoxy]-3-chloro-1-(2,6-difluorophenyl)-6-methylpyridin-2-one
SMILESCc1cc(OCc2ccc(F)cc2CN)c(Cl)c(=O)n1-c1c(F)cccc1F
InChIInChI=1S/C20H16ClF3N2O2/c1-11-7-17(28-10-12-5-6-14(22)8-13(12)9-25)18(21)20(27)26(11)19-15(23)3-2-4-16(19)24/h2-8H,9-10,25H2,1H3
InChIKeyZOTANEDNGGFJTG-UHFFFAOYSA-N
XLogP4.25
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.81
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(aminomethyl)-4-fluorophenyl]methoxy]-3-chloro-1-(2,6-difluorophenyl)-6-methylpyridin-2-one?
The IUPAC name of 4-[[2-(aminomethyl)-4-fluorophenyl]methoxy]-3-chloro-1-(2,6-difluorophenyl)-6-methylpyridin-2-one (CID 21035336) is 4-[[2-(aminomethyl)-4-fluorophenyl]methoxy]-3-chloro-1-(2,6-difluorophenyl)-6-methylpyridin-2-one.
What is the SMILES notation for 4-[[2-(aminomethyl)-4-fluorophenyl]methoxy]-3-chloro-1-(2,6-difluorophenyl)-6-methylpyridin-2-one?
The canonical SMILES for 4-[[2-(aminomethyl)-4-fluorophenyl]methoxy]-3-chloro-1-(2,6-difluorophenyl)-6-methylpyridin-2-one is Cc1cc(OCc2ccc(F)cc2CN)c(Cl)c(=O)n1-c1c(F)cccc1F.
What is the InChIKey of 4-[[2-(aminomethyl)-4-fluorophenyl]methoxy]-3-chloro-1-(2,6-difluorophenyl)-6-methylpyridin-2-one?
The InChIKey is ZOTANEDNGGFJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClF3N2O2/c1-11-7-17(28-10-12-5-6-14(22)8-13(12)9-25)18(21)20(27)26(11)19-15(23)3-2-4-16(19)24/h2-8H,9-10,25H2,1H3.
What are the key properties of 4-[[2-(aminomethyl)-4-fluorophenyl]methoxy]-3-chloro-1-(2,6-difluorophenyl)-6-methylpyridin-2-one?
4-[[2-(aminomethyl)-4-fluorophenyl]methoxy]-3-chloro-1-(2,6-difluorophenyl)-6-methylpyridin-2-one has a molecular weight of 408.81 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(aminomethyl)-4-fluorophenyl]methoxy]-3-chloro-1-(2,6-difluorophenyl)-6-methylpyridin-2-one is sourced from PubChem (CID 21035336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).