methyl (1R,5R,6R)-3-(4-chlorophenyl)-6-fluoro-1-(4-methylphenyl)-2,4-dioxo-3-azabicyclo[3.1.0]hexane-6-carboxylate

C20H15ClFNO4 — CID 11326672

IUPACmethyl (1R,5R,6R)-3-(4-chlorophenyl)-6-fluoro-1-(4-methylphenyl)-2,4-dioxo-3-azabicyclo[3.1.0]hexane-6-carboxylate
SMILESCOC(=O)[C@@]1(F)[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@]21c1ccc(C)cc1
InChIInChI=1S/C20H15ClFNO4/c1-11-3-5-12(6-4-11)19-15(20(19,22)18(26)27-2)16(24)23(17(19)25)14-9-7-13(21)8-10-14/h3-10,15H,1-2H3/t15-,19-,20-/m0/s1
InChIKeyUEZGXQYJITZKJU-YSSFQJQWSA-N
MW387.79 g/mol
LogP2.97
Rot. Bonds3

About methyl (1R,5R,6R)-3-(4-chlorophenyl)-6-fluoro-1-(4-methylphenyl)-2,4-dioxo-3-azabicyclo[3.1.0]hexane-6-carboxylate

methyl (1R,5R,6R)-3-(4-chlorophenyl)-6-fluoro-1-(4-methylphenyl)-2,4-dioxo-3-azabicyclo[3.1.0]hexane-6-carboxylate (PubChem CID 11326672) has the molecular formula C20H15ClFNO4 and a molecular weight of 387.79 g/mol. Its IUPAC name is methyl (1R,5R,6R)-3-(4-chlorophenyl)-6-fluoro-1-(4-methylphenyl)-2,4-dioxo-3-azabicyclo[3.1.0]hexane-6-carboxylate.

Molecular Properties

Compound Namemethyl (1R,5R,6R)-3-(4-chlorophenyl)-6-fluoro-1-(4-methylphenyl)-2,4-dioxo-3-azabicyclo[3.1.0]hexane-6-carboxylate
PubChem CID11326672
Molecular FormulaC20H15ClFNO4
Molecular Weight387.79 g/mol
Exact Mass387.07
IUPAC Namemethyl (1R,5R,6R)-3-(4-chlorophenyl)-6-fluoro-1-(4-methylphenyl)-2,4-dioxo-3-azabicyclo[3.1.0]hexane-6-carboxylate
SMILESCOC(=O)[C@@]1(F)[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@]21c1ccc(C)cc1
InChIInChI=1S/C20H15ClFNO4/c1-11-3-5-12(6-4-11)19-15(20(19,22)18(26)27-2)16(24)23(17(19)25)14-9-7-13(21)8-10-14/h3-10,15H,1-2H3/t15-,19-,20-/m0/s1
InChIKeyUEZGXQYJITZKJU-YSSFQJQWSA-N
XLogP2.97
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.79
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl (1R,5R,6R)-3-(4-chlorophenyl)-6-fluoro-1-(4-methylphenyl)-2,4-dioxo-3-azabicyclo[3.1.0]hexane-6-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (1R,5R,6R)-3-(4-chlorophenyl)-6-fluoro-1-(4-methylphenyl)-2,4-dioxo-3-azabicyclo[3.1.0]hexane-6-carboxylate?
The IUPAC name of methyl (1R,5R,6R)-3-(4-chlorophenyl)-6-fluoro-1-(4-methylphenyl)-2,4-dioxo-3-azabicyclo[3.1.0]hexane-6-carboxylate (CID 11326672) is methyl (1R,5R,6R)-3-(4-chlorophenyl)-6-fluoro-1-(4-methylphenyl)-2,4-dioxo-3-azabicyclo[3.1.0]hexane-6-carboxylate.
What is the SMILES notation for methyl (1R,5R,6R)-3-(4-chlorophenyl)-6-fluoro-1-(4-methylphenyl)-2,4-dioxo-3-azabicyclo[3.1.0]hexane-6-carboxylate?
The canonical SMILES for methyl (1R,5R,6R)-3-(4-chlorophenyl)-6-fluoro-1-(4-methylphenyl)-2,4-dioxo-3-azabicyclo[3.1.0]hexane-6-carboxylate is COC(=O)[C@@]1(F)[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@]21c1ccc(C)cc1.
What is the InChIKey of methyl (1R,5R,6R)-3-(4-chlorophenyl)-6-fluoro-1-(4-methylphenyl)-2,4-dioxo-3-azabicyclo[3.1.0]hexane-6-carboxylate?
The InChIKey is UEZGXQYJITZKJU-YSSFQJQWSA-N. The full InChI is InChI=1S/C20H15ClFNO4/c1-11-3-5-12(6-4-11)19-15(20(19,22)18(26)27-2)16(24)23(17(19)25)14-9-7-13(21)8-10-14/h3-10,15H,1-2H3/t15-,19-,20-/m0/s1.
What are the key properties of methyl (1R,5R,6R)-3-(4-chlorophenyl)-6-fluoro-1-(4-methylphenyl)-2,4-dioxo-3-azabicyclo[3.1.0]hexane-6-carboxylate?
methyl (1R,5R,6R)-3-(4-chlorophenyl)-6-fluoro-1-(4-methylphenyl)-2,4-dioxo-3-azabicyclo[3.1.0]hexane-6-carboxylate has a molecular weight of 387.79 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,5R,6R)-3-(4-chlorophenyl)-6-fluoro-1-(4-methylphenyl)-2,4-dioxo-3-azabicyclo[3.1.0]hexane-6-carboxylate is sourced from PubChem (CID 11326672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).