1-[5-(aminomethyl)-2-fluorophenyl]-3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one

C20H16ClF3N2O2 — CID 21035295

IUPAC1-[5-(aminomethyl)-2-fluorophenyl]-3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one
SMILESCc1cc(OCc2ccc(F)cc2F)c(Cl)c(=O)n1-c1cc(CN)ccc1F
InChIInChI=1S/C20H16ClF3N2O2/c1-11-6-18(28-10-13-3-4-14(22)8-16(13)24)19(21)20(27)26(11)17-7-12(9-25)2-5-15(17)23/h2-8H,9-10,25H2,1H3
InChIKeyOZJQKAFESUHPMK-UHFFFAOYSA-N
MW408.81 g/mol
LogP4.25
Rot. Bonds5

About 1-[5-(aminomethyl)-2-fluorophenyl]-3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one

1-[5-(aminomethyl)-2-fluorophenyl]-3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one (PubChem CID 21035295) has the molecular formula C20H16ClF3N2O2 and a molecular weight of 408.81 g/mol. Its IUPAC name is 1-[5-(aminomethyl)-2-fluorophenyl]-3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-[5-(aminomethyl)-2-fluorophenyl]-3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one
PubChem CID21035295
Molecular FormulaC20H16ClF3N2O2
Molecular Weight408.81 g/mol
Exact Mass408.09
IUPAC Name1-[5-(aminomethyl)-2-fluorophenyl]-3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one
SMILESCc1cc(OCc2ccc(F)cc2F)c(Cl)c(=O)n1-c1cc(CN)ccc1F
InChIInChI=1S/C20H16ClF3N2O2/c1-11-6-18(28-10-13-3-4-14(22)8-16(13)24)19(21)20(27)26(11)17-7-12(9-25)2-5-15(17)23/h2-8H,9-10,25H2,1H3
InChIKeyOZJQKAFESUHPMK-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

Analyze 1-[5-(aminomethyl)-2-fluorophenyl]-3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one with MolForge

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Related Compounds

N-[[3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]phenyl]methyl]-2-hydroxyacetamide
CID 22049888
3-bromo-4-[(2,4-difluorobenzyl)oxy]-1-(2,6-difluorophenyl)-6-[(dimethylamino)methyl]pyridin-2(1H)-one
CID 22050098
3-Bromo-4-[(2,4-difluorobenzyl)oxy]-1-(2,6-difluorophenyl)-6-methylpyridin-2(1H)-one
CID 22050143
3-chloro-4-[(2,4-difluorobenzyl)oxy]-1-(2,6-difluorophenyl)-6-methylpyridin-2(1H)-one
CID 22050346
[3-[3-Bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]phenyl]methylurea
CID 22050354
1-[4-(Aminomethyl)phenyl]-3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one
CID 22050423
2-amino-N-[[3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]phenyl]methyl]acetamide
CID 22050426
3-Bromo-4-[(2,4-difluorophenyl)methoxy]-1-[4-(dimethylamino)-2,6-difluorophenyl]-6-methylpyridin-2-one
CID 22050450
3-chloro-4-[(2,4-difluorobenzyl)oxy]-1-(2,6-difluorophenyl)-6-(hydroxymethyl)pyridin-2(1H)-one
CID 22050683
3-Chloro-1-(2,6-difluorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-[(dimethylamino)methyl]pyridin-2-one
CID 22050760
3-Chloro-1-[2,6-difluoro-4-(4-methylpiperazin-1-yl)phenyl]-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one
CID 22050837
1-[3-(aminomethyl)phenyl]-3-bromo-4-[(2,4-difluorobenzyl)oxy]-6-methylpyridin-2(1H)-one
CID 22051179

Frequently Asked Questions

What is the IUPAC name of 1-[5-(aminomethyl)-2-fluorophenyl]-3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one?
The IUPAC name of 1-[5-(aminomethyl)-2-fluorophenyl]-3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one (CID 21035295) is 1-[5-(aminomethyl)-2-fluorophenyl]-3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one.
What is the SMILES notation for 1-[5-(aminomethyl)-2-fluorophenyl]-3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one?
The canonical SMILES for 1-[5-(aminomethyl)-2-fluorophenyl]-3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one is Cc1cc(OCc2ccc(F)cc2F)c(Cl)c(=O)n1-c1cc(CN)ccc1F.
What is the InChIKey of 1-[5-(aminomethyl)-2-fluorophenyl]-3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one?
The InChIKey is OZJQKAFESUHPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClF3N2O2/c1-11-6-18(28-10-13-3-4-14(22)8-16(13)24)19(21)20(27)26(11)17-7-12(9-25)2-5-15(17)23/h2-8H,9-10,25H2,1H3.
What are the key properties of 1-[5-(aminomethyl)-2-fluorophenyl]-3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one?
1-[5-(aminomethyl)-2-fluorophenyl]-3-chloro-4-[(2,4-difluorophenyl)methoxy]-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 1-[5-(aminomethyl)-2-fluorophenyl]-3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one is sourced from PubChem (CID 21035295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).