5-fluoro-6-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one

C22H15F4NO4 — CID 59352369

IUPAC5-fluoro-6-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one
SMILESCOc1cc2c(cc1F)C1(CO2)C(=O)N(Cc2ccc(C(F)(F)F)o2)c2ccccc21
InChIInChI=1S/C22H15F4NO4/c1-29-18-9-17-14(8-15(18)23)21(11-30-17)13-4-2-3-5-16(13)27(20(21)28)10-12-6-7-19(31-12)22(24,25)26/h2-9H,10-11H2,1H3
InChIKeyNVZCZIZTIQZLEL-UHFFFAOYSA-N
MW433.36 g/mol
LogP4.67
Rot. Bonds3

About 5-fluoro-6-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one

5-fluoro-6-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one (PubChem CID 59352369) has the molecular formula C22H15F4NO4 and a molecular weight of 433.36 g/mol. Its IUPAC name is 5-fluoro-6-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one.

Molecular Properties

Compound Name5-fluoro-6-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one
PubChem CID59352369
Molecular FormulaC22H15F4NO4
Molecular Weight433.36 g/mol
Exact Mass433.09
IUPAC Name5-fluoro-6-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one
SMILESCOc1cc2c(cc1F)C1(CO2)C(=O)N(Cc2ccc(C(F)(F)F)o2)c2ccccc21
InChIInChI=1S/C22H15F4NO4/c1-29-18-9-17-14(8-15(18)23)21(11-30-17)13-4-2-3-5-16(13)27(20(21)28)10-12-6-7-19(31-12)22(24,25)26/h2-9H,10-11H2,1H3
InChIKeyNVZCZIZTIQZLEL-UHFFFAOYSA-N
XLogP4.67
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.36
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-fluoro-6-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-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 5-fluoro-6-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one?
The IUPAC name of 5-fluoro-6-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one (CID 59352369) is 5-fluoro-6-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one.
What is the SMILES notation for 5-fluoro-6-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one?
The canonical SMILES for 5-fluoro-6-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one is COc1cc2c(cc1F)C1(CO2)C(=O)N(Cc2ccc(C(F)(F)F)o2)c2ccccc21.
What is the InChIKey of 5-fluoro-6-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one?
The InChIKey is NVZCZIZTIQZLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F4NO4/c1-29-18-9-17-14(8-15(18)23)21(11-30-17)13-4-2-3-5-16(13)27(20(21)28)10-12-6-7-19(31-12)22(24,25)26/h2-9H,10-11H2,1H3.
What are the key properties of 5-fluoro-6-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one?
5-fluoro-6-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one has a molecular weight of 433.36 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one is sourced from PubChem (CID 59352369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).