N-(2-fluorophenyl)-2-(2-hydroxyspiro[2H-indole-3,3'-5,6,7,8-tetrahydro-2H-benzo[f][1]benzofuran]-1-yl)acetamide

C27H25FN2O3 — CID 149316610

IUPACN-(2-fluorophenyl)-2-(2-hydroxyspiro[2H-indole-3,3'-5,6,7,8-tetrahydro-2H-benzo[f][1]benzofuran]-1-yl)acetamide
SMILESO=C(CN1c2ccccc2C2(COc3cc4c(cc32)CCCC4)C1O)Nc1ccccc1F
InChIInChI=1S/C27H25FN2O3/c28-21-10-4-5-11-22(21)29-25(31)15-30-23-12-6-3-9-19(23)27(26(30)32)16-33-24-14-18-8-2-1-7-17(18)13-20(24)27/h3-6,9-14,26,32H,1-2,7-8,15-16H2,(H,29,31)
InChIKeyXZQDGENRXWWFLX-UHFFFAOYSA-N
MW444.51 g/mol
LogP4.16
Rot. Bonds3

About N-(2-fluorophenyl)-2-(2-hydroxyspiro[2H-indole-3,3'-5,6,7,8-tetrahydro-2H-benzo[f][1]benzofuran]-1-yl)acetamide

N-(2-fluorophenyl)-2-(2-hydroxyspiro[2H-indole-3,3'-5,6,7,8-tetrahydro-2H-benzo[f][1]benzofuran]-1-yl)acetamide (PubChem CID 149316610) has the molecular formula C27H25FN2O3 and a molecular weight of 444.51 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-(2-hydroxyspiro[2H-indole-3,3'-5,6,7,8-tetrahydro-2H-benzo[f][1]benzofuran]-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-(2-hydroxyspiro[2H-indole-3,3'-5,6,7,8-tetrahydro-2H-benzo[f][1]benzofuran]-1-yl)acetamide
PubChem CID149316610
Molecular FormulaC27H25FN2O3
Molecular Weight444.51 g/mol
Exact Mass444.18
IUPAC NameN-(2-fluorophenyl)-2-(2-hydroxyspiro[2H-indole-3,3'-5,6,7,8-tetrahydro-2H-benzo[f][1]benzofuran]-1-yl)acetamide
SMILESO=C(CN1c2ccccc2C2(COc3cc4c(cc32)CCCC4)C1O)Nc1ccccc1F
InChIInChI=1S/C27H25FN2O3/c28-21-10-4-5-11-22(21)29-25(31)15-30-23-12-6-3-9-19(23)27(26(30)32)16-33-24-14-18-8-2-1-7-17(18)13-20(24)27/h3-6,9-14,26,32H,1-2,7-8,15-16H2,(H,29,31)
InChIKeyXZQDGENRXWWFLX-UHFFFAOYSA-N
XLogP4.16
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-(2-hydroxyspiro[2H-indole-3,3'-5,6,7,8-tetrahydro-2H-benzo[f][1]benzofuran]-1-yl)acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-(2-hydroxyspiro[2H-indole-3,3'-5,6,7,8-tetrahydro-2H-benzo[f][1]benzofuran]-1-yl)acetamide (CID 149316610) is N-(2-fluorophenyl)-2-(2-hydroxyspiro[2H-indole-3,3'-5,6,7,8-tetrahydro-2H-benzo[f][1]benzofuran]-1-yl)acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-(2-hydroxyspiro[2H-indole-3,3'-5,6,7,8-tetrahydro-2H-benzo[f][1]benzofuran]-1-yl)acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-(2-hydroxyspiro[2H-indole-3,3'-5,6,7,8-tetrahydro-2H-benzo[f][1]benzofuran]-1-yl)acetamide is O=C(CN1c2ccccc2C2(COc3cc4c(cc32)CCCC4)C1O)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-2-(2-hydroxyspiro[2H-indole-3,3'-5,6,7,8-tetrahydro-2H-benzo[f][1]benzofuran]-1-yl)acetamide?
The InChIKey is XZQDGENRXWWFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN2O3/c28-21-10-4-5-11-22(21)29-25(31)15-30-23-12-6-3-9-19(23)27(26(30)32)16-33-24-14-18-8-2-1-7-17(18)13-20(24)27/h3-6,9-14,26,32H,1-2,7-8,15-16H2,(H,29,31).
What are the key properties of N-(2-fluorophenyl)-2-(2-hydroxyspiro[2H-indole-3,3'-5,6,7,8-tetrahydro-2H-benzo[f][1]benzofuran]-1-yl)acetamide?
N-(2-fluorophenyl)-2-(2-hydroxyspiro[2H-indole-3,3'-5,6,7,8-tetrahydro-2H-benzo[f][1]benzofuran]-1-yl)acetamide has a molecular weight of 444.51 g/mol, XLogP of 4.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-(2-hydroxyspiro[2H-indole-3,3'-5,6,7,8-tetrahydro-2H-benzo[f][1]benzofuran]-1-yl)acetamide is sourced from PubChem (CID 149316610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).