1-(1-acetyl-2,3-dihydroindol-5-yl)-3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one

C23H19ClF2N2O3 — CID 22049967

IUPAC1-(1-acetyl-2,3-dihydroindol-5-yl)-3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one
SMILESCC(=O)N1CCc2cc(-n3c(C)cc(OCc4ccc(F)cc4F)c(Cl)c3=O)ccc21
InChIInChI=1S/C23H19ClF2N2O3/c1-13-9-21(31-12-16-3-4-17(25)11-19(16)26)22(24)23(30)28(13)18-5-6-20-15(10-18)7-8-27(20)14(2)29/h3-6,9-11H,7-8,12H2,1-2H3
InChIKeyPTRUOVBDPMFMIF-UHFFFAOYSA-N
MW444.87 g/mol
LogP4.57
Rot. Bonds4

About 1-(1-acetyl-2,3-dihydroindol-5-yl)-3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one

1-(1-acetyl-2,3-dihydroindol-5-yl)-3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one (PubChem CID 22049967) has the molecular formula C23H19ClF2N2O3 and a molecular weight of 444.87 g/mol. Its IUPAC name is 1-(1-acetyl-2,3-dihydroindol-5-yl)-3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-(1-acetyl-2,3-dihydroindol-5-yl)-3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one
PubChem CID22049967
Molecular FormulaC23H19ClF2N2O3
Molecular Weight444.87 g/mol
Exact Mass444.11
IUPAC Name1-(1-acetyl-2,3-dihydroindol-5-yl)-3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one
SMILESCC(=O)N1CCc2cc(-n3c(C)cc(OCc4ccc(F)cc4F)c(Cl)c3=O)ccc21
InChIInChI=1S/C23H19ClF2N2O3/c1-13-9-21(31-12-16-3-4-17(25)11-19(16)26)22(24)23(30)28(13)18-5-6-20-15(10-18)7-8-27(20)14(2)29/h3-6,9-11H,7-8,12H2,1-2H3
InChIKeyPTRUOVBDPMFMIF-UHFFFAOYSA-N
XLogP4.57
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.87
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-acetyl-2,3-dihydroindol-5-yl)-3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one?
The IUPAC name of 1-(1-acetyl-2,3-dihydroindol-5-yl)-3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one (CID 22049967) is 1-(1-acetyl-2,3-dihydroindol-5-yl)-3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one.
What is the SMILES notation for 1-(1-acetyl-2,3-dihydroindol-5-yl)-3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one?
The canonical SMILES for 1-(1-acetyl-2,3-dihydroindol-5-yl)-3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one is CC(=O)N1CCc2cc(-n3c(C)cc(OCc4ccc(F)cc4F)c(Cl)c3=O)ccc21.
What is the InChIKey of 1-(1-acetyl-2,3-dihydroindol-5-yl)-3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one?
The InChIKey is PTRUOVBDPMFMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClF2N2O3/c1-13-9-21(31-12-16-3-4-17(25)11-19(16)26)22(24)23(30)28(13)18-5-6-20-15(10-18)7-8-27(20)14(2)29/h3-6,9-11H,7-8,12H2,1-2H3.
What are the key properties of 1-(1-acetyl-2,3-dihydroindol-5-yl)-3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one?
1-(1-acetyl-2,3-dihydroindol-5-yl)-3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one has a molecular weight of 444.87 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetyl-2,3-dihydroindol-5-yl)-3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one is sourced from PubChem (CID 22049967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).