5-fluoro-3-(10H-phenothiazin-3-yl)-1,3-dihydroindol-2-one

C20H13FN2OS — CID 138393196

IUPAC5-fluoro-3-(10H-phenothiazin-3-yl)-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(F)cc2C1c1ccc2c(c1)Sc1ccccc1N2
InChIInChI=1S/C20H13FN2OS/c21-12-6-8-14-13(10-12)19(20(24)23-14)11-5-7-16-18(9-11)25-17-4-2-1-3-15(17)22-16/h1-10,19,22H,(H,23,24)
InChIKeyZPVMOOIAGAXADY-UHFFFAOYSA-N
MW348.40 g/mol
LogP5.12
Rot. Bonds1

About 5-fluoro-3-(10H-phenothiazin-3-yl)-1,3-dihydroindol-2-one

5-fluoro-3-(10H-phenothiazin-3-yl)-1,3-dihydroindol-2-one (PubChem CID 138393196) has the molecular formula C20H13FN2OS and a molecular weight of 348.40 g/mol. Its IUPAC name is 5-fluoro-3-(10H-phenothiazin-3-yl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-fluoro-3-(10H-phenothiazin-3-yl)-1,3-dihydroindol-2-one
PubChem CID138393196
Molecular FormulaC20H13FN2OS
Molecular Weight348.40 g/mol
Exact Mass348.07
IUPAC Name5-fluoro-3-(10H-phenothiazin-3-yl)-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(F)cc2C1c1ccc2c(c1)Sc1ccccc1N2
InChIInChI=1S/C20H13FN2OS/c21-12-6-8-14-13(10-12)19(20(24)23-14)11-5-7-16-18(9-11)25-17-4-2-1-3-15(17)22-16/h1-10,19,22H,(H,23,24)
InChIKeyZPVMOOIAGAXADY-UHFFFAOYSA-N
XLogP5.12
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.40
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(10H-phenothiazin-3-yl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-fluoro-3-(10H-phenothiazin-3-yl)-1,3-dihydroindol-2-one (CID 138393196) is 5-fluoro-3-(10H-phenothiazin-3-yl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-fluoro-3-(10H-phenothiazin-3-yl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-fluoro-3-(10H-phenothiazin-3-yl)-1,3-dihydroindol-2-one is O=C1Nc2ccc(F)cc2C1c1ccc2c(c1)Sc1ccccc1N2.
What is the InChIKey of 5-fluoro-3-(10H-phenothiazin-3-yl)-1,3-dihydroindol-2-one?
The InChIKey is ZPVMOOIAGAXADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN2OS/c21-12-6-8-14-13(10-12)19(20(24)23-14)11-5-7-16-18(9-11)25-17-4-2-1-3-15(17)22-16/h1-10,19,22H,(H,23,24).
What are the key properties of 5-fluoro-3-(10H-phenothiazin-3-yl)-1,3-dihydroindol-2-one?
5-fluoro-3-(10H-phenothiazin-3-yl)-1,3-dihydroindol-2-one has a molecular weight of 348.40 g/mol, XLogP of 5.12, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(10H-phenothiazin-3-yl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 138393196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).