4-[2-[[4-(4-fluorophenyl)-4-oxobutyl]-methylamino]ethoxy]-1,3-dihydroindol-2-one

C21H23FN2O3 — CID 10714219

IUPAC4-[2-[[4-(4-fluorophenyl)-4-oxobutyl]-methylamino]ethoxy]-1,3-dihydroindol-2-one
SMILESCN(CCCC(=O)c1ccc(F)cc1)CCOc1cccc2c1CC(=O)N2
InChIInChI=1S/C21H23FN2O3/c1-24(11-3-5-19(25)15-7-9-16(22)10-8-15)12-13-27-20-6-2-4-18-17(20)14-21(26)23-18/h2,4,6-10H,3,5,11-14H2,1H3,(H,23,26)
InChIKeyIOVXZPKVVVPHDX-UHFFFAOYSA-N
MW370.42 g/mol
LogP3.29
Rot. Bonds9

About 4-[2-[[4-(4-fluorophenyl)-4-oxobutyl]-methylamino]ethoxy]-1,3-dihydroindol-2-one

4-[2-[[4-(4-fluorophenyl)-4-oxobutyl]-methylamino]ethoxy]-1,3-dihydroindol-2-one (PubChem CID 10714219) has the molecular formula C21H23FN2O3 and a molecular weight of 370.42 g/mol. Its IUPAC name is 4-[2-[[4-(4-fluorophenyl)-4-oxobutyl]-methylamino]ethoxy]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name4-[2-[[4-(4-fluorophenyl)-4-oxobutyl]-methylamino]ethoxy]-1,3-dihydroindol-2-one
PubChem CID10714219
Molecular FormulaC21H23FN2O3
Molecular Weight370.42 g/mol
Exact Mass370.17
IUPAC Name4-[2-[[4-(4-fluorophenyl)-4-oxobutyl]-methylamino]ethoxy]-1,3-dihydroindol-2-one
SMILESCN(CCCC(=O)c1ccc(F)cc1)CCOc1cccc2c1CC(=O)N2
InChIInChI=1S/C21H23FN2O3/c1-24(11-3-5-19(25)15-7-9-16(22)10-8-15)12-13-27-20-6-2-4-18-17(20)14-21(26)23-18/h2,4,6-10H,3,5,11-14H2,1H3,(H,23,26)
InChIKeyIOVXZPKVVVPHDX-UHFFFAOYSA-N
XLogP3.29
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[[4-(4-fluorophenyl)-4-oxobutyl]-methylamino]ethoxy]-1,3-dihydroindol-2-one?
The IUPAC name of 4-[2-[[4-(4-fluorophenyl)-4-oxobutyl]-methylamino]ethoxy]-1,3-dihydroindol-2-one (CID 10714219) is 4-[2-[[4-(4-fluorophenyl)-4-oxobutyl]-methylamino]ethoxy]-1,3-dihydroindol-2-one.
What is the SMILES notation for 4-[2-[[4-(4-fluorophenyl)-4-oxobutyl]-methylamino]ethoxy]-1,3-dihydroindol-2-one?
The canonical SMILES for 4-[2-[[4-(4-fluorophenyl)-4-oxobutyl]-methylamino]ethoxy]-1,3-dihydroindol-2-one is CN(CCCC(=O)c1ccc(F)cc1)CCOc1cccc2c1CC(=O)N2.
What is the InChIKey of 4-[2-[[4-(4-fluorophenyl)-4-oxobutyl]-methylamino]ethoxy]-1,3-dihydroindol-2-one?
The InChIKey is IOVXZPKVVVPHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O3/c1-24(11-3-5-19(25)15-7-9-16(22)10-8-15)12-13-27-20-6-2-4-18-17(20)14-21(26)23-18/h2,4,6-10H,3,5,11-14H2,1H3,(H,23,26).
What are the key properties of 4-[2-[[4-(4-fluorophenyl)-4-oxobutyl]-methylamino]ethoxy]-1,3-dihydroindol-2-one?
4-[2-[[4-(4-fluorophenyl)-4-oxobutyl]-methylamino]ethoxy]-1,3-dihydroindol-2-one has a molecular weight of 370.42 g/mol, XLogP of 3.29, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[4-(4-fluorophenyl)-4-oxobutyl]-methylamino]ethoxy]-1,3-dihydroindol-2-one is sourced from PubChem (CID 10714219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).