3-chloro-1-(2,6-difluorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-[(dimethylamino)methyl]pyridin-2-one

C21H17ClF4N2O2 — CID 22050760

IUPAC3-chloro-1-(2,6-difluorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-[(dimethylamino)methyl]pyridin-2-one
SMILESCN(C)Cc1cc(OCc2ccc(F)cc2F)c(Cl)c(=O)n1-c1c(F)cccc1F
InChIInChI=1S/C21H17ClF4N2O2/c1-27(2)10-14-9-18(30-11-12-6-7-13(23)8-17(12)26)19(22)21(29)28(14)20-15(24)4-3-5-16(20)25/h3-9H,10-11H2,1-2H3
InChIKeyIBAUPDOUTIJFLI-UHFFFAOYSA-N
MW440.82 g/mol
LogP4.69
Rot. Bonds6

About 3-chloro-1-(2,6-difluorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-[(dimethylamino)methyl]pyridin-2-one

3-chloro-1-(2,6-difluorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-[(dimethylamino)methyl]pyridin-2-one (PubChem CID 22050760) has the molecular formula C21H17ClF4N2O2 and a molecular weight of 440.82 g/mol. Its IUPAC name is 3-chloro-1-(2,6-difluorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-[(dimethylamino)methyl]pyridin-2-one.

Molecular Properties

Compound Name3-chloro-1-(2,6-difluorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-[(dimethylamino)methyl]pyridin-2-one
PubChem CID22050760
Molecular FormulaC21H17ClF4N2O2
Molecular Weight440.82 g/mol
Exact Mass440.09
IUPAC Name3-chloro-1-(2,6-difluorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-[(dimethylamino)methyl]pyridin-2-one
SMILESCN(C)Cc1cc(OCc2ccc(F)cc2F)c(Cl)c(=O)n1-c1c(F)cccc1F
InChIInChI=1S/C21H17ClF4N2O2/c1-27(2)10-14-9-18(30-11-12-6-7-13(23)8-17(12)26)19(22)21(29)28(14)20-15(24)4-3-5-16(20)25/h3-9H,10-11H2,1-2H3
InChIKeyIBAUPDOUTIJFLI-UHFFFAOYSA-N
XLogP4.69
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.82
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-chloro-1-(2,6-difluorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-[(dimethylamino)methyl]pyridin-2-one with MolForge

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Related Compounds

CID 22050098
CID 22050098
CID 22050143
CID 22050143
CID 22050346
CID 22050346
CID 22050423
CID 22050423
CID 22050426
CID 22050426
CID 22050450
CID 22050450
CID 22050521
CID 22050521
CID 22050683
CID 22050683
CID 22050837
CID 22050837
CID 22051155
CID 22051155
CID 22051179
CID 22051179
CID 53318594
CID 53318594

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(2,6-difluorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-[(dimethylamino)methyl]pyridin-2-one?
The IUPAC name of 3-chloro-1-(2,6-difluorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-[(dimethylamino)methyl]pyridin-2-one (CID 22050760) is 3-chloro-1-(2,6-difluorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-[(dimethylamino)methyl]pyridin-2-one.
What is the SMILES notation for 3-chloro-1-(2,6-difluorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-[(dimethylamino)methyl]pyridin-2-one?
The canonical SMILES for 3-chloro-1-(2,6-difluorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-[(dimethylamino)methyl]pyridin-2-one is CN(C)Cc1cc(OCc2ccc(F)cc2F)c(Cl)c(=O)n1-c1c(F)cccc1F.
What is the InChIKey of 3-chloro-1-(2,6-difluorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-[(dimethylamino)methyl]pyridin-2-one?
The InChIKey is IBAUPDOUTIJFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClF4N2O2/c1-27(2)10-14-9-18(30-11-12-6-7-13(23)8-17(12)26)19(22)21(29)28(14)20-15(24)4-3-5-16(20)25/h3-9H,10-11H2,1-2H3.
What are the key properties of 3-chloro-1-(2,6-difluorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-[(dimethylamino)methyl]pyridin-2-one?
3-chloro-1-(2,6-difluorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-[(dimethylamino)methyl]pyridin-2-one has a molecular weight of 440.82 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(2,6-difluorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-[(dimethylamino)methyl]pyridin-2-one is sourced from PubChem (CID 22050760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).