5-[2-[1-(4-fluorophenyl)ethoxy]-6-methoxyphenyl]-1,3-dihydroindol-2-one

C23H20FNO3 — CID 122655583

IUPAC5-[2-[1-(4-fluorophenyl)ethoxy]-6-methoxyphenyl]-1,3-dihydroindol-2-one
SMILESCOc1cccc(OC(C)c2ccc(F)cc2)c1-c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C23H20FNO3/c1-14(15-6-9-18(24)10-7-15)28-21-5-3-4-20(27-2)23(21)16-8-11-19-17(12-16)13-22(26)25-19/h3-12,14H,13H2,1-2H3,(H,25,26)
InChIKeyVRCSELQUWZDHPJ-UHFFFAOYSA-N
MW377.42 g/mol
LogP5.14
Rot. Bonds5

About 5-[2-[1-(4-fluorophenyl)ethoxy]-6-methoxyphenyl]-1,3-dihydroindol-2-one

5-[2-[1-(4-fluorophenyl)ethoxy]-6-methoxyphenyl]-1,3-dihydroindol-2-one (PubChem CID 122655583) has the molecular formula C23H20FNO3 and a molecular weight of 377.42 g/mol. Its IUPAC name is 5-[2-[1-(4-fluorophenyl)ethoxy]-6-methoxyphenyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[2-[1-(4-fluorophenyl)ethoxy]-6-methoxyphenyl]-1,3-dihydroindol-2-one
PubChem CID122655583
Molecular FormulaC23H20FNO3
Molecular Weight377.42 g/mol
Exact Mass377.14
IUPAC Name5-[2-[1-(4-fluorophenyl)ethoxy]-6-methoxyphenyl]-1,3-dihydroindol-2-one
SMILESCOc1cccc(OC(C)c2ccc(F)cc2)c1-c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C23H20FNO3/c1-14(15-6-9-18(24)10-7-15)28-21-5-3-4-20(27-2)23(21)16-8-11-19-17(12-16)13-22(26)25-19/h3-12,14H,13H2,1-2H3,(H,25,26)
InChIKeyVRCSELQUWZDHPJ-UHFFFAOYSA-N
XLogP5.14
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.42
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[1-(4-fluorophenyl)ethoxy]-6-methoxyphenyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[2-[1-(4-fluorophenyl)ethoxy]-6-methoxyphenyl]-1,3-dihydroindol-2-one (CID 122655583) is 5-[2-[1-(4-fluorophenyl)ethoxy]-6-methoxyphenyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[2-[1-(4-fluorophenyl)ethoxy]-6-methoxyphenyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[2-[1-(4-fluorophenyl)ethoxy]-6-methoxyphenyl]-1,3-dihydroindol-2-one is COc1cccc(OC(C)c2ccc(F)cc2)c1-c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 5-[2-[1-(4-fluorophenyl)ethoxy]-6-methoxyphenyl]-1,3-dihydroindol-2-one?
The InChIKey is VRCSELQUWZDHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FNO3/c1-14(15-6-9-18(24)10-7-15)28-21-5-3-4-20(27-2)23(21)16-8-11-19-17(12-16)13-22(26)25-19/h3-12,14H,13H2,1-2H3,(H,25,26).
What are the key properties of 5-[2-[1-(4-fluorophenyl)ethoxy]-6-methoxyphenyl]-1,3-dihydroindol-2-one?
5-[2-[1-(4-fluorophenyl)ethoxy]-6-methoxyphenyl]-1,3-dihydroindol-2-one has a molecular weight of 377.42 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[1-(4-fluorophenyl)ethoxy]-6-methoxyphenyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 122655583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).