2,6-bis(4-chlorophenyl)-3,7-diazatricyclo[4.2.0.02,5]octane-4,8-dione

C18H12Cl2N2O2 — CID 102521934

IUPAC2,6-bis(4-chlorophenyl)-3,7-diazatricyclo[4.2.0.02,5]octane-4,8-dione
SMILESO=C1NC2(c3ccc(Cl)cc3)C1C1(c3ccc(Cl)cc3)NC(=O)C21
InChIInChI=1S/C18H12Cl2N2O2/c19-11-5-1-9(2-6-11)17-13(15(23)21-17)18(14(17)16(24)22-18)10-3-7-12(20)8-4-10/h1-8,13-14H,(H,21,23)(H,22,24)
InChIKeyQRZBDMJCXBRPSC-UHFFFAOYSA-N
MW359.21 g/mol
LogP2.59
Rot. Bonds2

About 2,6-bis(4-chlorophenyl)-3,7-diazatricyclo[4.2.0.02,5]octane-4,8-dione

2,6-bis(4-chlorophenyl)-3,7-diazatricyclo[4.2.0.02,5]octane-4,8-dione (PubChem CID 102521934) has the molecular formula C18H12Cl2N2O2 and a molecular weight of 359.21 g/mol. Its IUPAC name is 2,6-bis(4-chlorophenyl)-3,7-diazatricyclo[4.2.0.02,5]octane-4,8-dione.

Molecular Properties

Compound Name2,6-bis(4-chlorophenyl)-3,7-diazatricyclo[4.2.0.02,5]octane-4,8-dione
PubChem CID102521934
Molecular FormulaC18H12Cl2N2O2
Molecular Weight359.21 g/mol
Exact Mass358.03
IUPAC Name2,6-bis(4-chlorophenyl)-3,7-diazatricyclo[4.2.0.02,5]octane-4,8-dione
SMILESO=C1NC2(c3ccc(Cl)cc3)C1C1(c3ccc(Cl)cc3)NC(=O)C21
InChIInChI=1S/C18H12Cl2N2O2/c19-11-5-1-9(2-6-11)17-13(15(23)21-17)18(14(17)16(24)22-18)10-3-7-12(20)8-4-10/h1-8,13-14H,(H,21,23)(H,22,24)
InChIKeyQRZBDMJCXBRPSC-UHFFFAOYSA-N
XLogP2.59
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.21
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,6-bis(4-chlorophenyl)-3,7-diazatricyclo[4.2.0.02,5]octane-4,8-dione with MolForge

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Related Compounds

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CID 169291636
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CID 169097226
6-(4-chlorophenyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 82388884
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2,2-bis(4-chlorophenyl)cyclobutan-1-one
CID 11197059
2-(4-chlorophenyl)-2-methylcyclobutane-1,3-dione
CID 68579255
(5S)-1-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
CID 7131673
3-acetyl-5,5-bis(4-chlorophenyl)imidazolidine-2,4-dione
CID 71390525
azane;1,4-dichlorobenzene
CID 69330361
1-(4-chlorophenyl)-2-thia-5-azabicyclo[2.2.1]heptan-3-one
CID 176769251
1-(4-chlorophenyl)-2-oxa-5-azabicyclo[2.2.1]heptan-3-one
CID 176769269
(1R,5S)-6-(4-chlorophenyl)-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile
CID 6993512

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(4-chlorophenyl)-3,7-diazatricyclo[4.2.0.02,5]octane-4,8-dione?
The IUPAC name of 2,6-bis(4-chlorophenyl)-3,7-diazatricyclo[4.2.0.02,5]octane-4,8-dione (CID 102521934) is 2,6-bis(4-chlorophenyl)-3,7-diazatricyclo[4.2.0.02,5]octane-4,8-dione.
What is the SMILES notation for 2,6-bis(4-chlorophenyl)-3,7-diazatricyclo[4.2.0.02,5]octane-4,8-dione?
The canonical SMILES for 2,6-bis(4-chlorophenyl)-3,7-diazatricyclo[4.2.0.02,5]octane-4,8-dione is O=C1NC2(c3ccc(Cl)cc3)C1C1(c3ccc(Cl)cc3)NC(=O)C21.
What is the InChIKey of 2,6-bis(4-chlorophenyl)-3,7-diazatricyclo[4.2.0.02,5]octane-4,8-dione?
The InChIKey is QRZBDMJCXBRPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2N2O2/c19-11-5-1-9(2-6-11)17-13(15(23)21-17)18(14(17)16(24)22-18)10-3-7-12(20)8-4-10/h1-8,13-14H,(H,21,23)(H,22,24).
What are the key properties of 2,6-bis(4-chlorophenyl)-3,7-diazatricyclo[4.2.0.02,5]octane-4,8-dione?
2,6-bis(4-chlorophenyl)-3,7-diazatricyclo[4.2.0.02,5]octane-4,8-dione has a molecular weight of 359.21 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(4-chlorophenyl)-3,7-diazatricyclo[4.2.0.02,5]octane-4,8-dione is sourced from PubChem (CID 102521934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).