N-(2-fluorophenyl)-2-(2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)acetamide

C25H19FN2O4 — CID 11998584

IUPACN-(2-fluorophenyl)-2-(2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)acetamide
SMILESO=C(CN1C(=O)C2(COc3cc4c(cc32)CCO4)c2ccccc21)Nc1ccccc1F
InChIInChI=1S/C25H19FN2O4/c26-18-6-2-3-7-19(18)27-23(29)13-28-20-8-4-1-5-16(20)25(24(28)30)14-32-22-12-21-15(9-10-31-21)11-17(22)25/h1-8,11-12H,9-10,13-14H2,(H,27,29)
InChIKeyFWOIHAMWPUDMCY-UHFFFAOYSA-N
MW430.44 g/mol
LogP3.42
Rot. Bonds3

About N-(2-fluorophenyl)-2-(2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)acetamide

N-(2-fluorophenyl)-2-(2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)acetamide (PubChem CID 11998584) has the molecular formula C25H19FN2O4 and a molecular weight of 430.44 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-(2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-(2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)acetamide
PubChem CID11998584
Molecular FormulaC25H19FN2O4
Molecular Weight430.44 g/mol
Exact Mass430.13
IUPAC NameN-(2-fluorophenyl)-2-(2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)acetamide
SMILESO=C(CN1C(=O)C2(COc3cc4c(cc32)CCO4)c2ccccc21)Nc1ccccc1F
InChIInChI=1S/C25H19FN2O4/c26-18-6-2-3-7-19(18)27-23(29)13-28-20-8-4-1-5-16(20)25(24(28)30)14-32-22-12-21-15(9-10-31-21)11-17(22)25/h1-8,11-12H,9-10,13-14H2,(H,27,29)
InChIKeyFWOIHAMWPUDMCY-UHFFFAOYSA-N
XLogP3.42
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.44
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-(2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-(2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)acetamide (CID 11998584) is N-(2-fluorophenyl)-2-(2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-(2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-(2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)acetamide is O=C(CN1C(=O)C2(COc3cc4c(cc32)CCO4)c2ccccc21)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-2-(2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)acetamide?
The InChIKey is FWOIHAMWPUDMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN2O4/c26-18-6-2-3-7-19(18)27-23(29)13-28-20-8-4-1-5-16(20)25(24(28)30)14-32-22-12-21-15(9-10-31-21)11-17(22)25/h1-8,11-12H,9-10,13-14H2,(H,27,29).
What are the key properties of N-(2-fluorophenyl)-2-(2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)acetamide?
N-(2-fluorophenyl)-2-(2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)acetamide has a molecular weight of 430.44 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-(2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)acetamide is sourced from PubChem (CID 11998584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).