(5R,6S)-5,6-bis(4-bromophenyl)-4-methylmorpholin-3-one

C17H15Br2NO2 — CID 71663150

IUPAC(5R,6S)-5,6-bis(4-bromophenyl)-4-methylmorpholin-3-one
SMILESCN1C(=O)CO[C@@H](c2ccc(Br)cc2)[C@H]1c1ccc(Br)cc1
InChIInChI=1S/C17H15Br2NO2/c1-20-15(21)10-22-17(12-4-8-14(19)9-5-12)16(20)11-2-6-13(18)7-3-11/h2-9,16-17H,10H2,1H3/t16-,17+/m1/s1
InChIKeyOUTBUVLNDIYGFF-SJORKVTESA-N
MW425.12 g/mol
LogP4.48
Rot. Bonds2

About (5R,6S)-5,6-bis(4-bromophenyl)-4-methylmorpholin-3-one

(5R,6S)-5,6-bis(4-bromophenyl)-4-methylmorpholin-3-one (PubChem CID 71663150) has the molecular formula C17H15Br2NO2 and a molecular weight of 425.12 g/mol. Its IUPAC name is (5R,6S)-5,6-bis(4-bromophenyl)-4-methylmorpholin-3-one.

Molecular Properties

Compound Name(5R,6S)-5,6-bis(4-bromophenyl)-4-methylmorpholin-3-one
PubChem CID71663150
Molecular FormulaC17H15Br2NO2
Molecular Weight425.12 g/mol
Exact Mass422.95
IUPAC Name(5R,6S)-5,6-bis(4-bromophenyl)-4-methylmorpholin-3-one
SMILESCN1C(=O)CO[C@@H](c2ccc(Br)cc2)[C@H]1c1ccc(Br)cc1
InChIInChI=1S/C17H15Br2NO2/c1-20-15(21)10-22-17(12-4-8-14(19)9-5-12)16(20)11-2-6-13(18)7-3-11/h2-9,16-17H,10H2,1H3/t16-,17+/m1/s1
InChIKeyOUTBUVLNDIYGFF-SJORKVTESA-N
XLogP4.48
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.12
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2s,5r,6s)-2-Benzyl-5,6-Bis(4-Bromophenyl)-4-Methylmorpholin-3-One
CID 71305070
(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
US11407721, Example 6
CID 86281117
4-Benzyl-2-(4-bromophenyl)-2-methylmorpholine--hydrogen chloride (1/1)
CID 3066060
2-Benzyloxy-1-[4-(4-bromo-phenyl)-4-hydroxy-piperidin-1-yl]-ethanone
CID 44339491
(2S,3R,6S)-6-benzyl-2,3-bis(4-bromophenyl)-4-methylmorpholine
CID 71663151
US11407721, Example 5
CID 86280983
US11407721, Example 7
CID 86281118
(R)-3-((S)-1-(4-bromophenyl)ethyl)-6-(2-methylallyl)-6-phenyl-1,3-oxazinan-2-one
CID 46830455

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-5,6-bis(4-bromophenyl)-4-methylmorpholin-3-one?
The IUPAC name of (5R,6S)-5,6-bis(4-bromophenyl)-4-methylmorpholin-3-one (CID 71663150) is (5R,6S)-5,6-bis(4-bromophenyl)-4-methylmorpholin-3-one.
What is the SMILES notation for (5R,6S)-5,6-bis(4-bromophenyl)-4-methylmorpholin-3-one?
The canonical SMILES for (5R,6S)-5,6-bis(4-bromophenyl)-4-methylmorpholin-3-one is CN1C(=O)CO[C@@H](c2ccc(Br)cc2)[C@H]1c1ccc(Br)cc1.
What is the InChIKey of (5R,6S)-5,6-bis(4-bromophenyl)-4-methylmorpholin-3-one?
The InChIKey is OUTBUVLNDIYGFF-SJORKVTESA-N. The full InChI is InChI=1S/C17H15Br2NO2/c1-20-15(21)10-22-17(12-4-8-14(19)9-5-12)16(20)11-2-6-13(18)7-3-11/h2-9,16-17H,10H2,1H3/t16-,17+/m1/s1.
What are the key properties of (5R,6S)-5,6-bis(4-bromophenyl)-4-methylmorpholin-3-one?
(5R,6S)-5,6-bis(4-bromophenyl)-4-methylmorpholin-3-one has a molecular weight of 425.12 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-5,6-bis(4-bromophenyl)-4-methylmorpholin-3-one is sourced from PubChem (CID 71663150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).