(2R,5S,6R)-5,6-bis(4-chlorophenyl)-4-methyl-2-prop-2-enylmorpholin-3-one

C20H19Cl2NO2 — CID 118622892

IUPAC(2R,5S,6R)-5,6-bis(4-chlorophenyl)-4-methyl-2-prop-2-enylmorpholin-3-one
SMILESC=CC[C@H]1O[C@H](c2ccc(Cl)cc2)[C@H](c2ccc(Cl)cc2)N(C)C1=O
InChIInChI=1S/C20H19Cl2NO2/c1-3-4-17-20(24)23(2)18(13-5-9-15(21)10-6-13)19(25-17)14-7-11-16(22)12-8-14/h3,5-12,17-19H,1,4H2,2H3/t17-,18+,19-/m1/s1
InChIKeyVFXTVQWUJMRXOV-CEXWTWQISA-N
MW376.28 g/mol
LogP5.21
Rot. Bonds4

About (2R,5S,6R)-5,6-bis(4-chlorophenyl)-4-methyl-2-prop-2-enylmorpholin-3-one

(2R,5S,6R)-5,6-bis(4-chlorophenyl)-4-methyl-2-prop-2-enylmorpholin-3-one (PubChem CID 118622892) has the molecular formula C20H19Cl2NO2 and a molecular weight of 376.28 g/mol. Its IUPAC name is (2R,5S,6R)-5,6-bis(4-chlorophenyl)-4-methyl-2-prop-2-enylmorpholin-3-one.

Molecular Properties

Compound Name(2R,5S,6R)-5,6-bis(4-chlorophenyl)-4-methyl-2-prop-2-enylmorpholin-3-one
PubChem CID118622892
Molecular FormulaC20H19Cl2NO2
Molecular Weight376.28 g/mol
Exact Mass375.08
IUPAC Name(2R,5S,6R)-5,6-bis(4-chlorophenyl)-4-methyl-2-prop-2-enylmorpholin-3-one
SMILESC=CC[C@H]1O[C@H](c2ccc(Cl)cc2)[C@H](c2ccc(Cl)cc2)N(C)C1=O
InChIInChI=1S/C20H19Cl2NO2/c1-3-4-17-20(24)23(2)18(13-5-9-15(21)10-6-13)19(25-17)14-7-11-16(22)12-8-14/h3,5-12,17-19H,1,4H2,2H3/t17-,18+,19-/m1/s1
InChIKeyVFXTVQWUJMRXOV-CEXWTWQISA-N
XLogP5.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.28
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R,5S,6R)-5,6-bis(4-chlorophenyl)-4-methyl-2-prop-2-enylmorpholin-3-one 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 (2R,5S,6R)-5,6-bis(4-chlorophenyl)-4-methyl-2-prop-2-enylmorpholin-3-one?
The IUPAC name of (2R,5S,6R)-5,6-bis(4-chlorophenyl)-4-methyl-2-prop-2-enylmorpholin-3-one (CID 118622892) is (2R,5S,6R)-5,6-bis(4-chlorophenyl)-4-methyl-2-prop-2-enylmorpholin-3-one.
What is the SMILES notation for (2R,5S,6R)-5,6-bis(4-chlorophenyl)-4-methyl-2-prop-2-enylmorpholin-3-one?
The canonical SMILES for (2R,5S,6R)-5,6-bis(4-chlorophenyl)-4-methyl-2-prop-2-enylmorpholin-3-one is C=CC[C@H]1O[C@H](c2ccc(Cl)cc2)[C@H](c2ccc(Cl)cc2)N(C)C1=O.
What is the InChIKey of (2R,5S,6R)-5,6-bis(4-chlorophenyl)-4-methyl-2-prop-2-enylmorpholin-3-one?
The InChIKey is VFXTVQWUJMRXOV-CEXWTWQISA-N. The full InChI is InChI=1S/C20H19Cl2NO2/c1-3-4-17-20(24)23(2)18(13-5-9-15(21)10-6-13)19(25-17)14-7-11-16(22)12-8-14/h3,5-12,17-19H,1,4H2,2H3/t17-,18+,19-/m1/s1.
What are the key properties of (2R,5S,6R)-5,6-bis(4-chlorophenyl)-4-methyl-2-prop-2-enylmorpholin-3-one?
(2R,5S,6R)-5,6-bis(4-chlorophenyl)-4-methyl-2-prop-2-enylmorpholin-3-one has a molecular weight of 376.28 g/mol, XLogP of 5.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S,6R)-5,6-bis(4-chlorophenyl)-4-methyl-2-prop-2-enylmorpholin-3-one is sourced from PubChem (CID 118622892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).