(2S,5R,6S)-5,6-bis(4-chlorophenyl)-2-[(R)-hydroxy(pyridin-4-yl)methyl]-4-methylmorpholin-3-one

C23H20Cl2N2O3 — CID 118622941

IUPAC(2S,5R,6S)-5,6-bis(4-chlorophenyl)-2-[(R)-hydroxy(pyridin-4-yl)methyl]-4-methylmorpholin-3-one
SMILESCN1C(=O)[C@H]([C@H](O)c2ccncc2)O[C@@H](c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C23H20Cl2N2O3/c1-27-19(14-2-6-17(24)7-3-14)21(16-4-8-18(25)9-5-16)30-22(23(27)29)20(28)15-10-12-26-13-11-15/h2-13,19-22,28H,1H3/t19-,20-,21+,22+/m1/s1
InChIKeyGEKLPTGXVUBLLI-CZYKHXBRSA-N
MW443.33 g/mol
LogP4.76
Rot. Bonds4

About (2S,5R,6S)-5,6-bis(4-chlorophenyl)-2-[(R)-hydroxy(pyridin-4-yl)methyl]-4-methylmorpholin-3-one

(2S,5R,6S)-5,6-bis(4-chlorophenyl)-2-[(R)-hydroxy(pyridin-4-yl)methyl]-4-methylmorpholin-3-one (PubChem CID 118622941) has the molecular formula C23H20Cl2N2O3 and a molecular weight of 443.33 g/mol. Its IUPAC name is (2S,5R,6S)-5,6-bis(4-chlorophenyl)-2-[(R)-hydroxy(pyridin-4-yl)methyl]-4-methylmorpholin-3-one.

Molecular Properties

Compound Name(2S,5R,6S)-5,6-bis(4-chlorophenyl)-2-[(R)-hydroxy(pyridin-4-yl)methyl]-4-methylmorpholin-3-one
PubChem CID118622941
Molecular FormulaC23H20Cl2N2O3
Molecular Weight443.33 g/mol
Exact Mass442.09
IUPAC Name(2S,5R,6S)-5,6-bis(4-chlorophenyl)-2-[(R)-hydroxy(pyridin-4-yl)methyl]-4-methylmorpholin-3-one
SMILESCN1C(=O)[C@H]([C@H](O)c2ccncc2)O[C@@H](c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C23H20Cl2N2O3/c1-27-19(14-2-6-17(24)7-3-14)21(16-4-8-18(25)9-5-16)30-22(23(27)29)20(28)15-10-12-26-13-11-15/h2-13,19-22,28H,1H3/t19-,20-,21+,22+/m1/s1
InChIKeyGEKLPTGXVUBLLI-CZYKHXBRSA-N
XLogP4.76
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.33
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S,5R,6S)-5,6-bis(4-chlorophenyl)-2-[(R)-hydroxy(pyridin-4-yl)methyl]-4-methylmorpholin-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 (2S,5R,6S)-5,6-bis(4-chlorophenyl)-2-[(R)-hydroxy(pyridin-4-yl)methyl]-4-methylmorpholin-3-one?
The IUPAC name of (2S,5R,6S)-5,6-bis(4-chlorophenyl)-2-[(R)-hydroxy(pyridin-4-yl)methyl]-4-methylmorpholin-3-one (CID 118622941) is (2S,5R,6S)-5,6-bis(4-chlorophenyl)-2-[(R)-hydroxy(pyridin-4-yl)methyl]-4-methylmorpholin-3-one.
What is the SMILES notation for (2S,5R,6S)-5,6-bis(4-chlorophenyl)-2-[(R)-hydroxy(pyridin-4-yl)methyl]-4-methylmorpholin-3-one?
The canonical SMILES for (2S,5R,6S)-5,6-bis(4-chlorophenyl)-2-[(R)-hydroxy(pyridin-4-yl)methyl]-4-methylmorpholin-3-one is CN1C(=O)[C@H]([C@H](O)c2ccncc2)O[C@@H](c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1.
What is the InChIKey of (2S,5R,6S)-5,6-bis(4-chlorophenyl)-2-[(R)-hydroxy(pyridin-4-yl)methyl]-4-methylmorpholin-3-one?
The InChIKey is GEKLPTGXVUBLLI-CZYKHXBRSA-N. The full InChI is InChI=1S/C23H20Cl2N2O3/c1-27-19(14-2-6-17(24)7-3-14)21(16-4-8-18(25)9-5-16)30-22(23(27)29)20(28)15-10-12-26-13-11-15/h2-13,19-22,28H,1H3/t19-,20-,21+,22+/m1/s1.
What are the key properties of (2S,5R,6S)-5,6-bis(4-chlorophenyl)-2-[(R)-hydroxy(pyridin-4-yl)methyl]-4-methylmorpholin-3-one?
(2S,5R,6S)-5,6-bis(4-chlorophenyl)-2-[(R)-hydroxy(pyridin-4-yl)methyl]-4-methylmorpholin-3-one has a molecular weight of 443.33 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R,6S)-5,6-bis(4-chlorophenyl)-2-[(R)-hydroxy(pyridin-4-yl)methyl]-4-methylmorpholin-3-one is sourced from PubChem (CID 118622941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).