4-[[(2R,5S,6R)-5,6-bis(4-chlorophenyl)-4-methyl-3-oxomorpholin-2-yl]methyl]benzamide

C25H22Cl2N2O3 — CID 90357357

IUPAC4-[[(2R,5S,6R)-5,6-bis(4-chlorophenyl)-4-methyl-3-oxomorpholin-2-yl]methyl]benzamide
SMILESCN1C(=O)[C@@H](Cc2ccc(C(N)=O)cc2)O[C@H](c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C25H22Cl2N2O3/c1-29-22(16-6-10-19(26)11-7-16)23(17-8-12-20(27)13-9-17)32-21(25(29)31)14-15-2-4-18(5-3-15)24(28)30/h2-13,21-23H,14H2,1H3,(H2,28,30)/t21-,22+,23-/m1/s1
InChIKeyDUKKINYYQITDDA-XPWALMASSA-N
MW469.37 g/mol
LogP4.97
Rot. Bonds5

About 4-[[(2R,5S,6R)-5,6-bis(4-chlorophenyl)-4-methyl-3-oxomorpholin-2-yl]methyl]benzamide

4-[[(2R,5S,6R)-5,6-bis(4-chlorophenyl)-4-methyl-3-oxomorpholin-2-yl]methyl]benzamide (PubChem CID 90357357) has the molecular formula C25H22Cl2N2O3 and a molecular weight of 469.37 g/mol. Its IUPAC name is 4-[[(2R,5S,6R)-5,6-bis(4-chlorophenyl)-4-methyl-3-oxomorpholin-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[[(2R,5S,6R)-5,6-bis(4-chlorophenyl)-4-methyl-3-oxomorpholin-2-yl]methyl]benzamide
PubChem CID90357357
Molecular FormulaC25H22Cl2N2O3
Molecular Weight469.37 g/mol
Exact Mass468.10
IUPAC Name4-[[(2R,5S,6R)-5,6-bis(4-chlorophenyl)-4-methyl-3-oxomorpholin-2-yl]methyl]benzamide
SMILESCN1C(=O)[C@@H](Cc2ccc(C(N)=O)cc2)O[C@H](c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C25H22Cl2N2O3/c1-29-22(16-6-10-19(26)11-7-16)23(17-8-12-20(27)13-9-17)32-21(25(29)31)14-15-2-4-18(5-3-15)24(28)30/h2-13,21-23H,14H2,1H3,(H2,28,30)/t21-,22+,23-/m1/s1
InChIKeyDUKKINYYQITDDA-XPWALMASSA-N
XLogP4.97
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.37
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2R,5S,6R)-5,6-bis(4-chlorophenyl)-4-methyl-3-oxomorpholin-2-yl]methyl]benzamide?
The IUPAC name of 4-[[(2R,5S,6R)-5,6-bis(4-chlorophenyl)-4-methyl-3-oxomorpholin-2-yl]methyl]benzamide (CID 90357357) is 4-[[(2R,5S,6R)-5,6-bis(4-chlorophenyl)-4-methyl-3-oxomorpholin-2-yl]methyl]benzamide.
What is the SMILES notation for 4-[[(2R,5S,6R)-5,6-bis(4-chlorophenyl)-4-methyl-3-oxomorpholin-2-yl]methyl]benzamide?
The canonical SMILES for 4-[[(2R,5S,6R)-5,6-bis(4-chlorophenyl)-4-methyl-3-oxomorpholin-2-yl]methyl]benzamide is CN1C(=O)[C@@H](Cc2ccc(C(N)=O)cc2)O[C@H](c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1.
What is the InChIKey of 4-[[(2R,5S,6R)-5,6-bis(4-chlorophenyl)-4-methyl-3-oxomorpholin-2-yl]methyl]benzamide?
The InChIKey is DUKKINYYQITDDA-XPWALMASSA-N. The full InChI is InChI=1S/C25H22Cl2N2O3/c1-29-22(16-6-10-19(26)11-7-16)23(17-8-12-20(27)13-9-17)32-21(25(29)31)14-15-2-4-18(5-3-15)24(28)30/h2-13,21-23H,14H2,1H3,(H2,28,30)/t21-,22+,23-/m1/s1.
What are the key properties of 4-[[(2R,5S,6R)-5,6-bis(4-chlorophenyl)-4-methyl-3-oxomorpholin-2-yl]methyl]benzamide?
4-[[(2R,5S,6R)-5,6-bis(4-chlorophenyl)-4-methyl-3-oxomorpholin-2-yl]methyl]benzamide has a molecular weight of 469.37 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R,5S,6R)-5,6-bis(4-chlorophenyl)-4-methyl-3-oxomorpholin-2-yl]methyl]benzamide is sourced from PubChem (CID 90357357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).