8-(2,5-dichlorophenyl)-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one

C18H11Cl2NO4 — CID 44593213

IUPAC8-(2,5-dichlorophenyl)-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one
SMILESO=C1OCC2=C1C(c1cc(Cl)ccc1Cl)c1cc3c(cc1N2)OCO3
InChIInChI=1S/C18H11Cl2NO4/c19-8-1-2-11(20)9(3-8)16-10-4-14-15(25-7-24-14)5-12(10)21-13-6-23-18(22)17(13)16/h1-5,16,21H,6-7H2
InChIKeyWFLMMFXRAUEPIK-UHFFFAOYSA-N
MW376.20 g/mol
LogP4.09
Rot. Bonds1

About 8-(2,5-dichlorophenyl)-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one

8-(2,5-dichlorophenyl)-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one (PubChem CID 44593213) has the molecular formula C18H11Cl2NO4 and a molecular weight of 376.20 g/mol. Its IUPAC name is 8-(2,5-dichlorophenyl)-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one.

Molecular Properties

Compound Name8-(2,5-dichlorophenyl)-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one
PubChem CID44593213
Molecular FormulaC18H11Cl2NO4
Molecular Weight376.20 g/mol
Exact Mass375.01
IUPAC Name8-(2,5-dichlorophenyl)-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one
SMILESO=C1OCC2=C1C(c1cc(Cl)ccc1Cl)c1cc3c(cc1N2)OCO3
InChIInChI=1S/C18H11Cl2NO4/c19-8-1-2-11(20)9(3-8)16-10-4-14-15(25-7-24-14)5-12(10)21-13-6-23-18(22)17(13)16/h1-5,16,21H,6-7H2
InChIKeyWFLMMFXRAUEPIK-UHFFFAOYSA-N
XLogP4.09
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.20
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-(2,5-dichlorophenyl)-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(2,5-dichlorophenyl)-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one?
The IUPAC name of 8-(2,5-dichlorophenyl)-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one (CID 44593213) is 8-(2,5-dichlorophenyl)-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one.
What is the SMILES notation for 8-(2,5-dichlorophenyl)-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one?
The canonical SMILES for 8-(2,5-dichlorophenyl)-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one is O=C1OCC2=C1C(c1cc(Cl)ccc1Cl)c1cc3c(cc1N2)OCO3.
What is the InChIKey of 8-(2,5-dichlorophenyl)-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one?
The InChIKey is WFLMMFXRAUEPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl2NO4/c19-8-1-2-11(20)9(3-8)16-10-4-14-15(25-7-24-14)5-12(10)21-13-6-23-18(22)17(13)16/h1-5,16,21H,6-7H2.
What are the key properties of 8-(2,5-dichlorophenyl)-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one?
8-(2,5-dichlorophenyl)-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one has a molecular weight of 376.20 g/mol, XLogP of 4.09, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,5-dichlorophenyl)-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one is sourced from PubChem (CID 44593213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).