(2S)-2-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-2-(4-chlorophenyl)acetamide

C24H19Cl3N2O3 — CID 90357019

IUPAC(2S)-2-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-2-(4-chlorophenyl)acetamide
SMILESNC(=O)[C@H](c1ccc(Cl)cc1)N1C(=O)CO[C@H](c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C24H19Cl3N2O3/c25-17-7-1-14(2-8-17)21-23(16-5-11-19(27)12-6-16)32-13-20(30)29(21)22(24(28)31)15-3-9-18(26)10-4-15/h1-12,21-23H,13H2,(H2,28,31)/t21-,22-,23+/m0/s1
InChIKeyYHWPHGWFHMQEGH-RJGXRXQPSA-N
MW489.79 g/mol
LogP5.51
Rot. Bonds5

About (2S)-2-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-2-(4-chlorophenyl)acetamide

(2S)-2-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-2-(4-chlorophenyl)acetamide (PubChem CID 90357019) has the molecular formula C24H19Cl3N2O3 and a molecular weight of 489.79 g/mol. Its IUPAC name is (2S)-2-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-2-(4-chlorophenyl)acetamide.

Molecular Properties

Compound Name(2S)-2-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-2-(4-chlorophenyl)acetamide
PubChem CID90357019
Molecular FormulaC24H19Cl3N2O3
Molecular Weight489.79 g/mol
Exact Mass488.05
IUPAC Name(2S)-2-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-2-(4-chlorophenyl)acetamide
SMILESNC(=O)[C@H](c1ccc(Cl)cc1)N1C(=O)CO[C@H](c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C24H19Cl3N2O3/c25-17-7-1-14(2-8-17)21-23(16-5-11-19(27)12-6-16)32-13-20(30)29(21)22(24(28)31)15-3-9-18(26)10-4-15/h1-12,21-23H,13H2,(H2,28,31)/t21-,22-,23+/m0/s1
InChIKeyYHWPHGWFHMQEGH-RJGXRXQPSA-N
XLogP5.51
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.79
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-2-(4-chlorophenyl)acetamide?
The IUPAC name of (2S)-2-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-2-(4-chlorophenyl)acetamide (CID 90357019) is (2S)-2-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-2-(4-chlorophenyl)acetamide.
What is the SMILES notation for (2S)-2-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-2-(4-chlorophenyl)acetamide?
The canonical SMILES for (2S)-2-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-2-(4-chlorophenyl)acetamide is NC(=O)[C@H](c1ccc(Cl)cc1)N1C(=O)CO[C@H](c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1.
What is the InChIKey of (2S)-2-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-2-(4-chlorophenyl)acetamide?
The InChIKey is YHWPHGWFHMQEGH-RJGXRXQPSA-N. The full InChI is InChI=1S/C24H19Cl3N2O3/c25-17-7-1-14(2-8-17)21-23(16-5-11-19(27)12-6-16)32-13-20(30)29(21)22(24(28)31)15-3-9-18(26)10-4-15/h1-12,21-23H,13H2,(H2,28,31)/t21-,22-,23+/m0/s1.
What are the key properties of (2S)-2-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-2-(4-chlorophenyl)acetamide?
(2S)-2-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-2-(4-chlorophenyl)acetamide has a molecular weight of 489.79 g/mol, XLogP of 5.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-2-(4-chlorophenyl)acetamide is sourced from PubChem (CID 90357019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).