1-(4-fluorophenyl)-3-[2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)ethyl]urea

C25H20FN3O5 — CID 11998070

IUPAC1-(4-fluorophenyl)-3-[2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)ethyl]urea
SMILESO=C(NCCN1C(=O)C2(COc3cc4c(cc32)OCO4)c2ccccc21)Nc1ccc(F)cc1
InChIInChI=1S/C25H20FN3O5/c26-15-5-7-16(8-6-15)28-24(31)27-9-10-29-19-4-2-1-3-17(19)25(23(29)30)13-32-20-12-22-21(11-18(20)25)33-14-34-22/h1-8,11-12H,9-10,13-14H2,(H2,27,28,31)
InChIKeyFZRZHUNCWVKYFJ-UHFFFAOYSA-N
MW461.45 g/mol
LogP3.40
Rot. Bonds4

About 1-(4-fluorophenyl)-3-[2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)ethyl]urea

1-(4-fluorophenyl)-3-[2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)ethyl]urea (PubChem CID 11998070) has the molecular formula C25H20FN3O5 and a molecular weight of 461.45 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)ethyl]urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)ethyl]urea
PubChem CID11998070
Molecular FormulaC25H20FN3O5
Molecular Weight461.45 g/mol
Exact Mass461.14
IUPAC Name1-(4-fluorophenyl)-3-[2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)ethyl]urea
SMILESO=C(NCCN1C(=O)C2(COc3cc4c(cc32)OCO4)c2ccccc21)Nc1ccc(F)cc1
InChIInChI=1S/C25H20FN3O5/c26-15-5-7-16(8-6-15)28-24(31)27-9-10-29-19-4-2-1-3-17(19)25(23(29)30)13-32-20-12-22-21(11-18(20)25)33-14-34-22/h1-8,11-12H,9-10,13-14H2,(H2,27,28,31)
InChIKeyFZRZHUNCWVKYFJ-UHFFFAOYSA-N
XLogP3.40
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.45
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(4-fluorophenyl)-3-[2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)ethyl]urea 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-(4-fluorophenyl)-3-[2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)ethyl]urea?
The IUPAC name of 1-(4-fluorophenyl)-3-[2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)ethyl]urea (CID 11998070) is 1-(4-fluorophenyl)-3-[2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)ethyl]urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)ethyl]urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-[2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)ethyl]urea is O=C(NCCN1C(=O)C2(COc3cc4c(cc32)OCO4)c2ccccc21)Nc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)ethyl]urea?
The InChIKey is FZRZHUNCWVKYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN3O5/c26-15-5-7-16(8-6-15)28-24(31)27-9-10-29-19-4-2-1-3-17(19)25(23(29)30)13-32-20-12-22-21(11-18(20)25)33-14-34-22/h1-8,11-12H,9-10,13-14H2,(H2,27,28,31).
What are the key properties of 1-(4-fluorophenyl)-3-[2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)ethyl]urea?
1-(4-fluorophenyl)-3-[2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)ethyl]urea has a molecular weight of 461.45 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)ethyl]urea is sourced from PubChem (CID 11998070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).