4-N-(2-fluorophenyl)-8-N-(4-fluorophenyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-4,8-dicarboxamide

C22H24F2N4O4 — CID 172884801

IUPAC4-N-(2-fluorophenyl)-8-N-(4-fluorophenyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-4,8-dicarboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CCCOC2(C1)CN(C(=O)Nc1ccccc1F)CCO2
InChIInChI=1S/C22H24F2N4O4/c23-16-6-8-17(9-7-16)25-20(29)27-10-3-12-31-22(14-27)15-28(11-13-32-22)21(30)26-19-5-2-1-4-18(19)24/h1-2,4-9H,3,10-15H2,(H,25,29)(H,26,30)
InChIKeyDWSHCMXURMBIOR-UHFFFAOYSA-N
MW446.45 g/mol
LogP3.48
Rot. Bonds2

About 4-N-(2-fluorophenyl)-8-N-(4-fluorophenyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-4,8-dicarboxamide

4-N-(2-fluorophenyl)-8-N-(4-fluorophenyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-4,8-dicarboxamide (PubChem CID 172884801) has the molecular formula C22H24F2N4O4 and a molecular weight of 446.45 g/mol. Its IUPAC name is 4-N-(2-fluorophenyl)-8-N-(4-fluorophenyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-4,8-dicarboxamide.

Molecular Properties

Compound Name4-N-(2-fluorophenyl)-8-N-(4-fluorophenyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-4,8-dicarboxamide
PubChem CID172884801
Molecular FormulaC22H24F2N4O4
Molecular Weight446.45 g/mol
Exact Mass446.18
IUPAC Name4-N-(2-fluorophenyl)-8-N-(4-fluorophenyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-4,8-dicarboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CCCOC2(C1)CN(C(=O)Nc1ccccc1F)CCO2
InChIInChI=1S/C22H24F2N4O4/c23-16-6-8-17(9-7-16)25-20(29)27-10-3-12-31-22(14-27)15-28(11-13-32-22)21(30)26-19-5-2-1-4-18(19)24/h1-2,4-9H,3,10-15H2,(H,25,29)(H,26,30)
InChIKeyDWSHCMXURMBIOR-UHFFFAOYSA-N
XLogP3.48
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.45
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-fluorophenyl)-8-N-(4-fluorophenyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-4,8-dicarboxamide?
The IUPAC name of 4-N-(2-fluorophenyl)-8-N-(4-fluorophenyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-4,8-dicarboxamide (CID 172884801) is 4-N-(2-fluorophenyl)-8-N-(4-fluorophenyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-4,8-dicarboxamide.
What is the SMILES notation for 4-N-(2-fluorophenyl)-8-N-(4-fluorophenyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-4,8-dicarboxamide?
The canonical SMILES for 4-N-(2-fluorophenyl)-8-N-(4-fluorophenyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-4,8-dicarboxamide is O=C(Nc1ccc(F)cc1)N1CCCOC2(C1)CN(C(=O)Nc1ccccc1F)CCO2.
What is the InChIKey of 4-N-(2-fluorophenyl)-8-N-(4-fluorophenyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-4,8-dicarboxamide?
The InChIKey is DWSHCMXURMBIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N4O4/c23-16-6-8-17(9-7-16)25-20(29)27-10-3-12-31-22(14-27)15-28(11-13-32-22)21(30)26-19-5-2-1-4-18(19)24/h1-2,4-9H,3,10-15H2,(H,25,29)(H,26,30).
What are the key properties of 4-N-(2-fluorophenyl)-8-N-(4-fluorophenyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-4,8-dicarboxamide?
4-N-(2-fluorophenyl)-8-N-(4-fluorophenyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-4,8-dicarboxamide has a molecular weight of 446.45 g/mol, XLogP of 3.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-fluorophenyl)-8-N-(4-fluorophenyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-4,8-dicarboxamide is sourced from PubChem (CID 172884801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).