N-benzyl-1-(4-fluorobenzoyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide

C26H23FN2O3 — CID 131655772

IUPACN-benzyl-1-(4-fluorobenzoyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide
SMILESO=C(NCc1ccccc1)C1CC2(CO1)CN(C(=O)c1ccc(F)cc1)c1ccccc12
InChIInChI=1S/C26H23FN2O3/c27-20-12-10-19(11-13-20)25(31)29-16-26(21-8-4-5-9-22(21)29)14-23(32-17-26)24(30)28-15-18-6-2-1-3-7-18/h1-13,23H,14-17H2,(H,28,30)
InChIKeyDFSSZCYYUHCPPK-UHFFFAOYSA-N
MW430.48 g/mol
LogP3.83
Rot. Bonds4

About N-benzyl-1-(4-fluorobenzoyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide

N-benzyl-1-(4-fluorobenzoyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide (PubChem CID 131655772) has the molecular formula C26H23FN2O3 and a molecular weight of 430.48 g/mol. Its IUPAC name is N-benzyl-1-(4-fluorobenzoyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(4-fluorobenzoyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide
PubChem CID131655772
Molecular FormulaC26H23FN2O3
Molecular Weight430.48 g/mol
Exact Mass430.17
IUPAC NameN-benzyl-1-(4-fluorobenzoyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide
SMILESO=C(NCc1ccccc1)C1CC2(CO1)CN(C(=O)c1ccc(F)cc1)c1ccccc12
InChIInChI=1S/C26H23FN2O3/c27-20-12-10-19(11-13-20)25(31)29-16-26(21-8-4-5-9-22(21)29)14-23(32-17-26)24(30)28-15-18-6-2-1-3-7-18/h1-13,23H,14-17H2,(H,28,30)
InChIKeyDFSSZCYYUHCPPK-UHFFFAOYSA-N
XLogP3.83
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(4-fluorobenzoyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide?
The IUPAC name of N-benzyl-1-(4-fluorobenzoyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide (CID 131655772) is N-benzyl-1-(4-fluorobenzoyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide.
What is the SMILES notation for N-benzyl-1-(4-fluorobenzoyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide?
The canonical SMILES for N-benzyl-1-(4-fluorobenzoyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide is O=C(NCc1ccccc1)C1CC2(CO1)CN(C(=O)c1ccc(F)cc1)c1ccccc12.
What is the InChIKey of N-benzyl-1-(4-fluorobenzoyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide?
The InChIKey is DFSSZCYYUHCPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN2O3/c27-20-12-10-19(11-13-20)25(31)29-16-26(21-8-4-5-9-22(21)29)14-23(32-17-26)24(30)28-15-18-6-2-1-3-7-18/h1-13,23H,14-17H2,(H,28,30).
What are the key properties of N-benzyl-1-(4-fluorobenzoyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide?
N-benzyl-1-(4-fluorobenzoyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide has a molecular weight of 430.48 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(4-fluorobenzoyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide is sourced from PubChem (CID 131655772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).