(3R,5R)-4-benzyl-3-[(E)-2-(4-chlorophenyl)ethenyl]-5-phenylmorpholin-2-one

C25H22ClNO2 — CID 135004990

IUPAC(3R,5R)-4-benzyl-3-[(E)-2-(4-chlorophenyl)ethenyl]-5-phenylmorpholin-2-one
SMILESO=C1OC[C@@H](c2ccccc2)N(Cc2ccccc2)[C@@H]1/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C25H22ClNO2/c26-22-14-11-19(12-15-22)13-16-23-25(28)29-18-24(21-9-5-2-6-10-21)27(23)17-20-7-3-1-4-8-20/h1-16,23-24H,17-18H2/b16-13+/t23-,24+/m1/s1
InChIKeySPPKQNBPAALCKL-PEEOZJOBSA-N
MW403.91 g/mol
LogP5.52
Rot. Bonds5

About (3R,5R)-4-benzyl-3-[(E)-2-(4-chlorophenyl)ethenyl]-5-phenylmorpholin-2-one

(3R,5R)-4-benzyl-3-[(E)-2-(4-chlorophenyl)ethenyl]-5-phenylmorpholin-2-one (PubChem CID 135004990) has the molecular formula C25H22ClNO2 and a molecular weight of 403.91 g/mol. Its IUPAC name is (3R,5R)-4-benzyl-3-[(E)-2-(4-chlorophenyl)ethenyl]-5-phenylmorpholin-2-one.

Molecular Properties

Compound Name(3R,5R)-4-benzyl-3-[(E)-2-(4-chlorophenyl)ethenyl]-5-phenylmorpholin-2-one
PubChem CID135004990
Molecular FormulaC25H22ClNO2
Molecular Weight403.91 g/mol
Exact Mass403.13
IUPAC Name(3R,5R)-4-benzyl-3-[(E)-2-(4-chlorophenyl)ethenyl]-5-phenylmorpholin-2-one
SMILESO=C1OC[C@@H](c2ccccc2)N(Cc2ccccc2)[C@@H]1/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C25H22ClNO2/c26-22-14-11-19(12-15-22)13-16-23-25(28)29-18-24(21-9-5-2-6-10-21)27(23)17-20-7-3-1-4-8-20/h1-16,23-24H,17-18H2/b16-13+/t23-,24+/m1/s1
InChIKeySPPKQNBPAALCKL-PEEOZJOBSA-N
XLogP5.52
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.91
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3R,5R)-4-benzyl-3-[(E)-2-(4-chlorophenyl)ethenyl]-5-phenylmorpholin-2-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 (3R,5R)-4-benzyl-3-[(E)-2-(4-chlorophenyl)ethenyl]-5-phenylmorpholin-2-one?
The IUPAC name of (3R,5R)-4-benzyl-3-[(E)-2-(4-chlorophenyl)ethenyl]-5-phenylmorpholin-2-one (CID 135004990) is (3R,5R)-4-benzyl-3-[(E)-2-(4-chlorophenyl)ethenyl]-5-phenylmorpholin-2-one.
What is the SMILES notation for (3R,5R)-4-benzyl-3-[(E)-2-(4-chlorophenyl)ethenyl]-5-phenylmorpholin-2-one?
The canonical SMILES for (3R,5R)-4-benzyl-3-[(E)-2-(4-chlorophenyl)ethenyl]-5-phenylmorpholin-2-one is O=C1OC[C@@H](c2ccccc2)N(Cc2ccccc2)[C@@H]1/C=C/c1ccc(Cl)cc1.
What is the InChIKey of (3R,5R)-4-benzyl-3-[(E)-2-(4-chlorophenyl)ethenyl]-5-phenylmorpholin-2-one?
The InChIKey is SPPKQNBPAALCKL-PEEOZJOBSA-N. The full InChI is InChI=1S/C25H22ClNO2/c26-22-14-11-19(12-15-22)13-16-23-25(28)29-18-24(21-9-5-2-6-10-21)27(23)17-20-7-3-1-4-8-20/h1-16,23-24H,17-18H2/b16-13+/t23-,24+/m1/s1.
What are the key properties of (3R,5R)-4-benzyl-3-[(E)-2-(4-chlorophenyl)ethenyl]-5-phenylmorpholin-2-one?
(3R,5R)-4-benzyl-3-[(E)-2-(4-chlorophenyl)ethenyl]-5-phenylmorpholin-2-one has a molecular weight of 403.91 g/mol, XLogP of 5.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-4-benzyl-3-[(E)-2-(4-chlorophenyl)ethenyl]-5-phenylmorpholin-2-one is sourced from PubChem (CID 135004990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).