5,7-bis(4-chlorophenyl)-2-oxa-5,7-diazaspiro[3.4]octan-6-one

C17H14Cl2N2O2 — CID 145417058

IUPAC5,7-bis(4-chlorophenyl)-2-oxa-5,7-diazaspiro[3.4]octan-6-one
SMILESO=C1N(c2ccc(Cl)cc2)CC2(COC2)N1c1ccc(Cl)cc1
InChIInChI=1S/C17H14Cl2N2O2/c18-12-1-5-14(6-2-12)20-9-17(10-23-11-17)21(16(20)22)15-7-3-13(19)4-8-15/h1-8H,9-11H2
InChIKeyJGAMTWUFWCDEMS-UHFFFAOYSA-N
MW349.22 g/mol
LogP4.21
Rot. Bonds2

About 5,7-bis(4-chlorophenyl)-2-oxa-5,7-diazaspiro[3.4]octan-6-one

5,7-bis(4-chlorophenyl)-2-oxa-5,7-diazaspiro[3.4]octan-6-one (PubChem CID 145417058) has the molecular formula C17H14Cl2N2O2 and a molecular weight of 349.22 g/mol. Its IUPAC name is 5,7-bis(4-chlorophenyl)-2-oxa-5,7-diazaspiro[3.4]octan-6-one.

Molecular Properties

Compound Name5,7-bis(4-chlorophenyl)-2-oxa-5,7-diazaspiro[3.4]octan-6-one
PubChem CID145417058
Molecular FormulaC17H14Cl2N2O2
Molecular Weight349.22 g/mol
Exact Mass348.04
IUPAC Name5,7-bis(4-chlorophenyl)-2-oxa-5,7-diazaspiro[3.4]octan-6-one
SMILESO=C1N(c2ccc(Cl)cc2)CC2(COC2)N1c1ccc(Cl)cc1
InChIInChI=1S/C17H14Cl2N2O2/c18-12-1-5-14(6-2-12)20-9-17(10-23-11-17)21(16(20)22)15-7-3-13(19)4-8-15/h1-8H,9-11H2
InChIKeyJGAMTWUFWCDEMS-UHFFFAOYSA-N
XLogP4.21
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,7-bis(4-chlorophenyl)-2-oxa-5,7-diazaspiro[3.4]octan-6-one?
The IUPAC name of 5,7-bis(4-chlorophenyl)-2-oxa-5,7-diazaspiro[3.4]octan-6-one (CID 145417058) is 5,7-bis(4-chlorophenyl)-2-oxa-5,7-diazaspiro[3.4]octan-6-one.
What is the SMILES notation for 5,7-bis(4-chlorophenyl)-2-oxa-5,7-diazaspiro[3.4]octan-6-one?
The canonical SMILES for 5,7-bis(4-chlorophenyl)-2-oxa-5,7-diazaspiro[3.4]octan-6-one is O=C1N(c2ccc(Cl)cc2)CC2(COC2)N1c1ccc(Cl)cc1.
What is the InChIKey of 5,7-bis(4-chlorophenyl)-2-oxa-5,7-diazaspiro[3.4]octan-6-one?
The InChIKey is JGAMTWUFWCDEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O2/c18-12-1-5-14(6-2-12)20-9-17(10-23-11-17)21(16(20)22)15-7-3-13(19)4-8-15/h1-8H,9-11H2.
What are the key properties of 5,7-bis(4-chlorophenyl)-2-oxa-5,7-diazaspiro[3.4]octan-6-one?
5,7-bis(4-chlorophenyl)-2-oxa-5,7-diazaspiro[3.4]octan-6-one has a molecular weight of 349.22 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-bis(4-chlorophenyl)-2-oxa-5,7-diazaspiro[3.4]octan-6-one is sourced from PubChem (CID 145417058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).