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

C22H18FNO3 — CID 122662670

IUPAC5-[2-[(4-fluorophenyl)methoxy]-6-methoxyphenyl]-1,3-dihydroindol-2-one
SMILESCOc1cccc(OCc2ccc(F)cc2)c1-c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C22H18FNO3/c1-26-19-3-2-4-20(27-13-14-5-8-17(23)9-6-14)22(19)15-7-10-18-16(11-15)12-21(25)24-18/h2-11H,12-13H2,1H3,(H,24,25)
InChIKeyDMURNFIUAMIBND-UHFFFAOYSA-N
MW363.39 g/mol
LogP4.57
Rot. Bonds5

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

5-[2-[(4-fluorophenyl)methoxy]-6-methoxyphenyl]-1,3-dihydroindol-2-one (PubChem CID 122662670) has the molecular formula C22H18FNO3 and a molecular weight of 363.39 g/mol. Its IUPAC name is 5-[2-[(4-fluorophenyl)methoxy]-6-methoxyphenyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[2-[(4-fluorophenyl)methoxy]-6-methoxyphenyl]-1,3-dihydroindol-2-one
PubChem CID122662670
Molecular FormulaC22H18FNO3
Molecular Weight363.39 g/mol
Exact Mass363.13
IUPAC Name5-[2-[(4-fluorophenyl)methoxy]-6-methoxyphenyl]-1,3-dihydroindol-2-one
SMILESCOc1cccc(OCc2ccc(F)cc2)c1-c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C22H18FNO3/c1-26-19-3-2-4-20(27-13-14-5-8-17(23)9-6-14)22(19)15-7-10-18-16(11-15)12-21(25)24-18/h2-11H,12-13H2,1H3,(H,24,25)
InChIKeyDMURNFIUAMIBND-UHFFFAOYSA-N
XLogP4.57
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(4-fluorophenyl)methoxy]-6-methoxyphenyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[2-[(4-fluorophenyl)methoxy]-6-methoxyphenyl]-1,3-dihydroindol-2-one (CID 122662670) is 5-[2-[(4-fluorophenyl)methoxy]-6-methoxyphenyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[2-[(4-fluorophenyl)methoxy]-6-methoxyphenyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[2-[(4-fluorophenyl)methoxy]-6-methoxyphenyl]-1,3-dihydroindol-2-one is COc1cccc(OCc2ccc(F)cc2)c1-c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 5-[2-[(4-fluorophenyl)methoxy]-6-methoxyphenyl]-1,3-dihydroindol-2-one?
The InChIKey is DMURNFIUAMIBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FNO3/c1-26-19-3-2-4-20(27-13-14-5-8-17(23)9-6-14)22(19)15-7-10-18-16(11-15)12-21(25)24-18/h2-11H,12-13H2,1H3,(H,24,25).
What are the key properties of 5-[2-[(4-fluorophenyl)methoxy]-6-methoxyphenyl]-1,3-dihydroindol-2-one?
5-[2-[(4-fluorophenyl)methoxy]-6-methoxyphenyl]-1,3-dihydroindol-2-one has a molecular weight of 363.39 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(4-fluorophenyl)methoxy]-6-methoxyphenyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 122662670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).