3-(4-chlorophenyl)-6,6-diphenyl-3-azabicyclo[3.1.0]hexane-2,4-dione

C23H16ClNO2 — CID 2894988

IUPAC3-(4-chlorophenyl)-6,6-diphenyl-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESO=C1C2C(C(=O)N1c1ccc(Cl)cc1)C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H16ClNO2/c24-17-11-13-18(14-12-17)25-21(26)19-20(22(25)27)23(19,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,19-20H
InChIKeyKXJURHDNRFUADJ-UHFFFAOYSA-N
MW373.84 g/mol
LogP4.45
Rot. Bonds3

About 3-(4-chlorophenyl)-6,6-diphenyl-3-azabicyclo[3.1.0]hexane-2,4-dione

3-(4-chlorophenyl)-6,6-diphenyl-3-azabicyclo[3.1.0]hexane-2,4-dione (PubChem CID 2894988) has the molecular formula C23H16ClNO2 and a molecular weight of 373.84 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-6,6-diphenyl-3-azabicyclo[3.1.0]hexane-2,4-dione.

Molecular Properties

Compound Name3-(4-chlorophenyl)-6,6-diphenyl-3-azabicyclo[3.1.0]hexane-2,4-dione
PubChem CID2894988
Molecular FormulaC23H16ClNO2
Molecular Weight373.84 g/mol
Exact Mass373.09
IUPAC Name3-(4-chlorophenyl)-6,6-diphenyl-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESO=C1C2C(C(=O)N1c1ccc(Cl)cc1)C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H16ClNO2/c24-17-11-13-18(14-12-17)25-21(26)19-20(22(25)27)23(19,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,19-20H
InChIKeyKXJURHDNRFUADJ-UHFFFAOYSA-N
XLogP4.45
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-6,6-diphenyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
The IUPAC name of 3-(4-chlorophenyl)-6,6-diphenyl-3-azabicyclo[3.1.0]hexane-2,4-dione (CID 2894988) is 3-(4-chlorophenyl)-6,6-diphenyl-3-azabicyclo[3.1.0]hexane-2,4-dione.
What is the SMILES notation for 3-(4-chlorophenyl)-6,6-diphenyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
The canonical SMILES for 3-(4-chlorophenyl)-6,6-diphenyl-3-azabicyclo[3.1.0]hexane-2,4-dione is O=C1C2C(C(=O)N1c1ccc(Cl)cc1)C2(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-(4-chlorophenyl)-6,6-diphenyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
The InChIKey is KXJURHDNRFUADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClNO2/c24-17-11-13-18(14-12-17)25-21(26)19-20(22(25)27)23(19,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,19-20H.
What are the key properties of 3-(4-chlorophenyl)-6,6-diphenyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
3-(4-chlorophenyl)-6,6-diphenyl-3-azabicyclo[3.1.0]hexane-2,4-dione has a molecular weight of 373.84 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-6,6-diphenyl-3-azabicyclo[3.1.0]hexane-2,4-dione is sourced from PubChem (CID 2894988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).