(2R,5S,6R)-5,6-bis(4-chlorophenyl)-2-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-methylmorpholin-3-one

C27H28Cl2N2O2 — CID 90357790

IUPAC(2R,5S,6R)-5,6-bis(4-chlorophenyl)-2-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-methylmorpholin-3-one
SMILESCN(C)Cc1ccc(C[C@H]2O[C@H](c3ccc(Cl)cc3)[C@H](c3ccc(Cl)cc3)N(C)C2=O)cc1
InChIInChI=1S/C27H28Cl2N2O2/c1-30(2)17-19-6-4-18(5-7-19)16-24-27(32)31(3)25(20-8-12-22(28)13-9-20)26(33-24)21-10-14-23(29)15-11-21/h4-15,24-26H,16-17H2,1-3H3/t24-,25+,26-/m1/s1
InChIKeyGTBIGGRMISCXCW-UODIDJSMSA-N
MW483.44 g/mol
LogP5.94
Rot. Bonds6

About (2R,5S,6R)-5,6-bis(4-chlorophenyl)-2-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-methylmorpholin-3-one

(2R,5S,6R)-5,6-bis(4-chlorophenyl)-2-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-methylmorpholin-3-one (PubChem CID 90357790) has the molecular formula C27H28Cl2N2O2 and a molecular weight of 483.44 g/mol. Its IUPAC name is (2R,5S,6R)-5,6-bis(4-chlorophenyl)-2-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-methylmorpholin-3-one.

Molecular Properties

Compound Name(2R,5S,6R)-5,6-bis(4-chlorophenyl)-2-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-methylmorpholin-3-one
PubChem CID90357790
Molecular FormulaC27H28Cl2N2O2
Molecular Weight483.44 g/mol
Exact Mass482.15
IUPAC Name(2R,5S,6R)-5,6-bis(4-chlorophenyl)-2-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-methylmorpholin-3-one
SMILESCN(C)Cc1ccc(C[C@H]2O[C@H](c3ccc(Cl)cc3)[C@H](c3ccc(Cl)cc3)N(C)C2=O)cc1
InChIInChI=1S/C27H28Cl2N2O2/c1-30(2)17-19-6-4-18(5-7-19)16-24-27(32)31(3)25(20-8-12-22(28)13-9-20)26(33-24)21-10-14-23(29)15-11-21/h4-15,24-26H,16-17H2,1-3H3/t24-,25+,26-/m1/s1
InChIKeyGTBIGGRMISCXCW-UODIDJSMSA-N
XLogP5.94
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.44
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2R,5S,6R)-5,6-bis(4-chlorophenyl)-2-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-methylmorpholin-3-one with MolForge

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Related Compounds

4-[[(2R,5S,6R)-5,6-bis(4-chlorophenyl)-4-methyl-3-oxomorpholin-2-yl]methyl]benzamide
CID 90357357
methyl 4-[[(2S,5R,6S)-5,6-bis(4-chlorophenyl)-4-methyl-3-oxomorpholin-2-yl]methyl]benzoate
CID 90357542
(2R,5S,6R)-5,6-bis(4-chlorophenyl)-4-methyl-2-prop-2-enylmorpholin-3-one
CID 118622892
2-benzyl-5,6-bis(4-bromophenyl)-4-methylmorpholin-3-one
CID 78143475
(2S,5R,6S)-4-butyl-5,6-bis(4-chlorophenyl)-2-[(4-iodophenyl)methyl]morpholin-3-one
CID 118631961
(5S,6R)-5,6-bis(4-chlorophenyl)-4-methyl-2-(2-morpholin-4-ylethyl)morpholin-3-one
CID 90371867
(2S,5R,6S)-2-benzyl-5,6-bis(4-chlorophenyl)-4-[(4-methoxyphenyl)methyl]morpholin-3-one
CID 118631978
2-[2,3-bis(4-chlorophenyl)-6-[(4-fluorophenyl)methyl]-5-oxomorpholin-4-yl]pentanal
CID 123473411
(2R)-2-[(2S,3R,6S)-2,3-bis(4-chlorophenyl)-6-[(4-cyanophenyl)methyl]-5-oxomorpholin-4-yl]pentanoic acid
CID 90358104
(2S)-2-[(2R,3S,6R)-2,3-bis(4-chlorophenyl)-6-[(4-cyanophenyl)methyl]-5-oxomorpholin-4-yl]pentanoic acid;(2R)-2-[(2S,3R,6S)-2,3-bis(4-chlorophenyl)-6-[(4-cyanophenyl)methyl]-5-oxomorpholin-4-yl]pentanoic acid
CID 162217890
(2S)-2-[(2R,3S,6R)-2,3-bis(4-chlorophenyl)-5-oxo-6-(pyridin-4-ylmethyl)morpholin-4-yl]pentanoic acid;(2R)-2-[(2S,3R,6S)-2,3-bis(4-chlorophenyl)-5-oxo-6-(pyridin-4-ylmethyl)morpholin-4-yl]pentanoic acid
CID 158321679
(2R)-2-[(2S,3R,6S)-2,3-bis(4-chlorophenyl)-6-[(4-fluorophenyl)methyl]-5-oxomorpholin-4-yl]-2-(4-chlorophenyl)acetamide
CID 90357801

Frequently Asked Questions

What is the IUPAC name of (2R,5S,6R)-5,6-bis(4-chlorophenyl)-2-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-methylmorpholin-3-one?
The IUPAC name of (2R,5S,6R)-5,6-bis(4-chlorophenyl)-2-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-methylmorpholin-3-one (CID 90357790) is (2R,5S,6R)-5,6-bis(4-chlorophenyl)-2-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-methylmorpholin-3-one.
What is the SMILES notation for (2R,5S,6R)-5,6-bis(4-chlorophenyl)-2-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-methylmorpholin-3-one?
The canonical SMILES for (2R,5S,6R)-5,6-bis(4-chlorophenyl)-2-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-methylmorpholin-3-one is CN(C)Cc1ccc(C[C@H]2O[C@H](c3ccc(Cl)cc3)[C@H](c3ccc(Cl)cc3)N(C)C2=O)cc1.
What is the InChIKey of (2R,5S,6R)-5,6-bis(4-chlorophenyl)-2-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-methylmorpholin-3-one?
The InChIKey is GTBIGGRMISCXCW-UODIDJSMSA-N. The full InChI is InChI=1S/C27H28Cl2N2O2/c1-30(2)17-19-6-4-18(5-7-19)16-24-27(32)31(3)25(20-8-12-22(28)13-9-20)26(33-24)21-10-14-23(29)15-11-21/h4-15,24-26H,16-17H2,1-3H3/t24-,25+,26-/m1/s1.
What are the key properties of (2R,5S,6R)-5,6-bis(4-chlorophenyl)-2-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-methylmorpholin-3-one?
(2R,5S,6R)-5,6-bis(4-chlorophenyl)-2-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-methylmorpholin-3-one has a molecular weight of 483.44 g/mol, XLogP of 5.94, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S,6R)-5,6-bis(4-chlorophenyl)-2-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-methylmorpholin-3-one is sourced from PubChem (CID 90357790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).