N-(2-fluoro-5-methylphenyl)-2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)acetamide

C25H19FN2O5 — CID 11998340

IUPACN-(2-fluoro-5-methylphenyl)-2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)acetamide
SMILESCc1ccc(F)c(NC(=O)CN2C(=O)C3(COc4cc5c(cc43)OCO5)c3ccccc32)c1
InChIInChI=1S/C25H19FN2O5/c1-14-6-7-17(26)18(8-14)27-23(29)11-28-19-5-3-2-4-15(19)25(24(28)30)12-31-20-10-22-21(9-16(20)25)32-13-33-22/h2-10H,11-13H2,1H3,(H,27,29)
InChIKeyPGRZAOBYUNMFQO-UHFFFAOYSA-N
MW446.43 g/mol
LogP3.53
Rot. Bonds3

About N-(2-fluoro-5-methylphenyl)-2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)acetamide

N-(2-fluoro-5-methylphenyl)-2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)acetamide (PubChem CID 11998340) has the molecular formula C25H19FN2O5 and a molecular weight of 446.43 g/mol. Its IUPAC name is N-(2-fluoro-5-methylphenyl)-2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)acetamide.

Molecular Properties

Compound NameN-(2-fluoro-5-methylphenyl)-2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)acetamide
PubChem CID11998340
Molecular FormulaC25H19FN2O5
Molecular Weight446.43 g/mol
Exact Mass446.13
IUPAC NameN-(2-fluoro-5-methylphenyl)-2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)acetamide
SMILESCc1ccc(F)c(NC(=O)CN2C(=O)C3(COc4cc5c(cc43)OCO5)c3ccccc32)c1
InChIInChI=1S/C25H19FN2O5/c1-14-6-7-17(26)18(8-14)27-23(29)11-28-19-5-3-2-4-15(19)25(24(28)30)12-31-20-10-22-21(9-16(20)25)32-13-33-22/h2-10H,11-13H2,1H3,(H,27,29)
InChIKeyPGRZAOBYUNMFQO-UHFFFAOYSA-N
XLogP3.53
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.43
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-methylphenyl)-2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)acetamide?
The IUPAC name of N-(2-fluoro-5-methylphenyl)-2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)acetamide (CID 11998340) is N-(2-fluoro-5-methylphenyl)-2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)acetamide.
What is the SMILES notation for N-(2-fluoro-5-methylphenyl)-2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)acetamide?
The canonical SMILES for N-(2-fluoro-5-methylphenyl)-2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)acetamide is Cc1ccc(F)c(NC(=O)CN2C(=O)C3(COc4cc5c(cc43)OCO5)c3ccccc32)c1.
What is the InChIKey of N-(2-fluoro-5-methylphenyl)-2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)acetamide?
The InChIKey is PGRZAOBYUNMFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN2O5/c1-14-6-7-17(26)18(8-14)27-23(29)11-28-19-5-3-2-4-15(19)25(24(28)30)12-31-20-10-22-21(9-16(20)25)32-13-33-22/h2-10H,11-13H2,1H3,(H,27,29).
What are the key properties of N-(2-fluoro-5-methylphenyl)-2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)acetamide?
N-(2-fluoro-5-methylphenyl)-2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)acetamide has a molecular weight of 446.43 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-methylphenyl)-2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)acetamide is sourced from PubChem (CID 11998340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).