(2R,5S,6R)-5,6-bis(4-bromophenyl)-2-[(4-fluorophenyl)methyl]-4-methylmorpholin-3-one

C24H20Br2FNO2 — CID 86281117

IUPAC(2R,5S,6R)-5,6-bis(4-bromophenyl)-2-[(4-fluorophenyl)methyl]-4-methylmorpholin-3-one
SMILESCN1C(=O)[C@@H](Cc2ccc(F)cc2)O[C@H](c2ccc(Br)cc2)[C@@H]1c1ccc(Br)cc1
InChIInChI=1S/C24H20Br2FNO2/c1-28-22(16-4-8-18(25)9-5-16)23(17-6-10-19(26)11-7-17)30-21(24(28)29)14-15-2-12-20(27)13-3-15/h2-13,21-23H,14H2,1H3/t21-,22+,23-/m1/s1
InChIKeyZOPUXVMFTFLAOX-XPWALMASSA-N
MW533.24 g/mol
LogP6.23
Rot. Bonds4

About (2R,5S,6R)-5,6-bis(4-bromophenyl)-2-[(4-fluorophenyl)methyl]-4-methylmorpholin-3-one

(2R,5S,6R)-5,6-bis(4-bromophenyl)-2-[(4-fluorophenyl)methyl]-4-methylmorpholin-3-one (PubChem CID 86281117) has the molecular formula C24H20Br2FNO2 and a molecular weight of 533.24 g/mol. Its IUPAC name is (2R,5S,6R)-5,6-bis(4-bromophenyl)-2-[(4-fluorophenyl)methyl]-4-methylmorpholin-3-one.

Molecular Properties

Compound Name(2R,5S,6R)-5,6-bis(4-bromophenyl)-2-[(4-fluorophenyl)methyl]-4-methylmorpholin-3-one
PubChem CID86281117
Molecular FormulaC24H20Br2FNO2
Molecular Weight533.24 g/mol
Exact Mass530.98
IUPAC Name(2R,5S,6R)-5,6-bis(4-bromophenyl)-2-[(4-fluorophenyl)methyl]-4-methylmorpholin-3-one
SMILESCN1C(=O)[C@@H](Cc2ccc(F)cc2)O[C@H](c2ccc(Br)cc2)[C@@H]1c1ccc(Br)cc1
InChIInChI=1S/C24H20Br2FNO2/c1-28-22(16-4-8-18(25)9-5-16)23(17-6-10-19(26)11-7-17)30-21(24(28)29)14-15-2-12-20(27)13-3-15/h2-13,21-23H,14H2,1H3/t21-,22+,23-/m1/s1
InChIKeyZOPUXVMFTFLAOX-XPWALMASSA-N
XLogP6.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.24
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2R,5S,6R)-5,6-bis(4-bromophenyl)-2-[(4-fluorophenyl)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

Related Compounds

(2s,5r,6s)-2-Benzyl-5,6-Bis(4-Bromophenyl)-4-Methylmorpholin-3-One
CID 71305070
(5R,6S)-5,6-bis(4-bromophenyl)-4-methylmorpholin-3-one
CID 71663150
(2R,5S,6R)-2-benzyl-5,6-bis(4-bromophenyl)-4-methylmorpholin-3-one
CID 71663332
(2S,5R,6S)-5,6-bis(4-bromophenyl)-2-[(4-bromophenyl)methyl]-4-methylmorpholin-3-one
CID 71663333
(2S,5R,6S)-5,6-bis(4-bromophenyl)-2-[(4-fluorophenyl)methyl]-4-methylmorpholin-3-one
CID 71663334
(2S,5R,6S)-5,6-bis(4-bromophenyl)-2-[(4-methoxyphenyl)methyl]-4-methylmorpholin-3-one
CID 71663335
(2S,5R,6S)-5,6-bis(4-bromophenyl)-2-[(3-methoxyphenyl)methyl]-4-methylmorpholin-3-one
CID 71663336
US11407721, Example 8
CID 86281252
(2S,3R,6S)-6-benzyl-2,3-bis(4-bromophenyl)-4-methylmorpholine
CID 71663151
US11407721, Example 5
CID 86280983
US11407721, Example 7
CID 86281118
US11407721, Example 9
CID 86281253

Frequently Asked Questions

What is the IUPAC name of (2R,5S,6R)-5,6-bis(4-bromophenyl)-2-[(4-fluorophenyl)methyl]-4-methylmorpholin-3-one?
The IUPAC name of (2R,5S,6R)-5,6-bis(4-bromophenyl)-2-[(4-fluorophenyl)methyl]-4-methylmorpholin-3-one (CID 86281117) is (2R,5S,6R)-5,6-bis(4-bromophenyl)-2-[(4-fluorophenyl)methyl]-4-methylmorpholin-3-one.
What is the SMILES notation for (2R,5S,6R)-5,6-bis(4-bromophenyl)-2-[(4-fluorophenyl)methyl]-4-methylmorpholin-3-one?
The canonical SMILES for (2R,5S,6R)-5,6-bis(4-bromophenyl)-2-[(4-fluorophenyl)methyl]-4-methylmorpholin-3-one is CN1C(=O)[C@@H](Cc2ccc(F)cc2)O[C@H](c2ccc(Br)cc2)[C@@H]1c1ccc(Br)cc1.
What is the InChIKey of (2R,5S,6R)-5,6-bis(4-bromophenyl)-2-[(4-fluorophenyl)methyl]-4-methylmorpholin-3-one?
The InChIKey is ZOPUXVMFTFLAOX-XPWALMASSA-N. The full InChI is InChI=1S/C24H20Br2FNO2/c1-28-22(16-4-8-18(25)9-5-16)23(17-6-10-19(26)11-7-17)30-21(24(28)29)14-15-2-12-20(27)13-3-15/h2-13,21-23H,14H2,1H3/t21-,22+,23-/m1/s1.
What are the key properties of (2R,5S,6R)-5,6-bis(4-bromophenyl)-2-[(4-fluorophenyl)methyl]-4-methylmorpholin-3-one?
(2R,5S,6R)-5,6-bis(4-bromophenyl)-2-[(4-fluorophenyl)methyl]-4-methylmorpholin-3-one has a molecular weight of 533.24 g/mol, XLogP of 6.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S,6R)-5,6-bis(4-bromophenyl)-2-[(4-fluorophenyl)methyl]-4-methylmorpholin-3-one is sourced from PubChem (CID 86281117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).