[1-[(2,4-difluorophenyl)methyl]spiro[2H-indole-3,4'-oxolane]-2'-yl]-pyrrolidin-1-ylmethanone

C23H24F2N2O2 — CID 131661763

IUPAC[1-[(2,4-difluorophenyl)methyl]spiro[2H-indole-3,4'-oxolane]-2'-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CC2(CO1)CN(Cc1ccc(F)cc1F)c1ccccc12)N1CCCC1
InChIInChI=1S/C23H24F2N2O2/c24-17-8-7-16(19(25)11-17)13-27-14-23(18-5-1-2-6-20(18)27)12-21(29-15-23)22(28)26-9-3-4-10-26/h1-2,5-8,11,21H,3-4,9-10,12-15H2
InChIKeyHDDSJGYVTBCVPG-UHFFFAOYSA-N
MW398.45 g/mol
LogP3.63
Rot. Bonds3

About [1-[(2,4-difluorophenyl)methyl]spiro[2H-indole-3,4'-oxolane]-2'-yl]-pyrrolidin-1-ylmethanone

[1-[(2,4-difluorophenyl)methyl]spiro[2H-indole-3,4'-oxolane]-2'-yl]-pyrrolidin-1-ylmethanone (PubChem CID 131661763) has the molecular formula C23H24F2N2O2 and a molecular weight of 398.45 g/mol. Its IUPAC name is [1-[(2,4-difluorophenyl)methyl]spiro[2H-indole-3,4'-oxolane]-2'-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[(2,4-difluorophenyl)methyl]spiro[2H-indole-3,4'-oxolane]-2'-yl]-pyrrolidin-1-ylmethanone
PubChem CID131661763
Molecular FormulaC23H24F2N2O2
Molecular Weight398.45 g/mol
Exact Mass398.18
IUPAC Name[1-[(2,4-difluorophenyl)methyl]spiro[2H-indole-3,4'-oxolane]-2'-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CC2(CO1)CN(Cc1ccc(F)cc1F)c1ccccc12)N1CCCC1
InChIInChI=1S/C23H24F2N2O2/c24-17-8-7-16(19(25)11-17)13-27-14-23(18-5-1-2-6-20(18)27)12-21(29-15-23)22(28)26-9-3-4-10-26/h1-2,5-8,11,21H,3-4,9-10,12-15H2
InChIKeyHDDSJGYVTBCVPG-UHFFFAOYSA-N
XLogP3.63
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.45
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[(2,4-difluorophenyl)methyl]spiro[2H-indole-3,4'-oxolane]-2'-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-[(2,4-difluorophenyl)methyl]spiro[2H-indole-3,4'-oxolane]-2'-yl]-pyrrolidin-1-ylmethanone (CID 131661763) is [1-[(2,4-difluorophenyl)methyl]spiro[2H-indole-3,4'-oxolane]-2'-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-[(2,4-difluorophenyl)methyl]spiro[2H-indole-3,4'-oxolane]-2'-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-[(2,4-difluorophenyl)methyl]spiro[2H-indole-3,4'-oxolane]-2'-yl]-pyrrolidin-1-ylmethanone is O=C(C1CC2(CO1)CN(Cc1ccc(F)cc1F)c1ccccc12)N1CCCC1.
What is the InChIKey of [1-[(2,4-difluorophenyl)methyl]spiro[2H-indole-3,4'-oxolane]-2'-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is HDDSJGYVTBCVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N2O2/c24-17-8-7-16(19(25)11-17)13-27-14-23(18-5-1-2-6-20(18)27)12-21(29-15-23)22(28)26-9-3-4-10-26/h1-2,5-8,11,21H,3-4,9-10,12-15H2.
What are the key properties of [1-[(2,4-difluorophenyl)methyl]spiro[2H-indole-3,4'-oxolane]-2'-yl]-pyrrolidin-1-ylmethanone?
[1-[(2,4-difluorophenyl)methyl]spiro[2H-indole-3,4'-oxolane]-2'-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 398.45 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,4-difluorophenyl)methyl]spiro[2H-indole-3,4'-oxolane]-2'-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 131661763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).