1'-[2-(3-fluorophenyl)-2-oxoethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one

C18H14FNO4 — CID 134134820

IUPAC1'-[2-(3-fluorophenyl)-2-oxoethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILESO=C(CN1C(=O)C2(OCCO2)c2ccccc21)c1cccc(F)c1
InChIInChI=1S/C18H14FNO4/c19-13-5-3-4-12(10-13)16(21)11-20-15-7-2-1-6-14(15)18(17(20)22)23-8-9-24-18/h1-7,10H,8-9,11H2
InChIKeyNTKXSBSMEIBBDP-UHFFFAOYSA-N
MW327.31 g/mol
LogP2.25
Rot. Bonds3

About 1'-[2-(3-fluorophenyl)-2-oxoethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one

1'-[2-(3-fluorophenyl)-2-oxoethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one (PubChem CID 134134820) has the molecular formula C18H14FNO4 and a molecular weight of 327.31 g/mol. Its IUPAC name is 1'-[2-(3-fluorophenyl)-2-oxoethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-[2-(3-fluorophenyl)-2-oxoethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
PubChem CID134134820
Molecular FormulaC18H14FNO4
Molecular Weight327.31 g/mol
Exact Mass327.09
IUPAC Name1'-[2-(3-fluorophenyl)-2-oxoethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILESO=C(CN1C(=O)C2(OCCO2)c2ccccc21)c1cccc(F)c1
InChIInChI=1S/C18H14FNO4/c19-13-5-3-4-12(10-13)16(21)11-20-15-7-2-1-6-14(15)18(17(20)22)23-8-9-24-18/h1-7,10H,8-9,11H2
InChIKeyNTKXSBSMEIBBDP-UHFFFAOYSA-N
XLogP2.25
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1'-[2-(3-fluorophenyl)-2-oxoethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1'-[2-(3-fluorophenyl)-2-oxoethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one?
The IUPAC name of 1'-[2-(3-fluorophenyl)-2-oxoethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one (CID 134134820) is 1'-[2-(3-fluorophenyl)-2-oxoethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one.
What is the SMILES notation for 1'-[2-(3-fluorophenyl)-2-oxoethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one?
The canonical SMILES for 1'-[2-(3-fluorophenyl)-2-oxoethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one is O=C(CN1C(=O)C2(OCCO2)c2ccccc21)c1cccc(F)c1.
What is the InChIKey of 1'-[2-(3-fluorophenyl)-2-oxoethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one?
The InChIKey is NTKXSBSMEIBBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO4/c19-13-5-3-4-12(10-13)16(21)11-20-15-7-2-1-6-14(15)18(17(20)22)23-8-9-24-18/h1-7,10H,8-9,11H2.
What are the key properties of 1'-[2-(3-fluorophenyl)-2-oxoethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one?
1'-[2-(3-fluorophenyl)-2-oxoethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one has a molecular weight of 327.31 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[2-(3-fluorophenyl)-2-oxoethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one is sourced from PubChem (CID 134134820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).