US11407721, Example 6

C24H20Br2FNO2 — CID 86281117

IUPAC(2R,5S,6R)-5,6-bis(4-bromophenyl)-2-[(4-fluorophenyl)methyl]-4-methylmorpholin-3-one
SMILESCN1[C@H]([C@H](O[C@@H](C1=O)CC2=CC=C(C=C2)F)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)Br
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
MW533.20 g/mol
LogP5.90
Rot. Bonds4

About US11407721, Example 6

US11407721, Example 6 (PubChem CID 86281117) has the molecular formula C24H20Br2FNO2 and a molecular weight of 533.20 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 NameUS11407721, Example 6
PubChem CID86281117
Molecular FormulaC24H20Br2FNO2
Molecular Weight533.20 g/mol
Exact Mass532.98
IUPAC Name(2R,5S,6R)-5,6-bis(4-bromophenyl)-2-[(4-fluorophenyl)methyl]-4-methylmorpholin-3-one
SMILESCN1[C@H]([C@H](O[C@@H](C1=O)CC2=CC=C(C=C2)F)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)Br
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
XLogP5.90
TPSA29.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity570

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.20
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze US11407721, Example 6 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 US11407721, Example 6?
The IUPAC name of US11407721, Example 6 (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 US11407721, Example 6?
The canonical SMILES for US11407721, Example 6 is CN1[C@H]([C@H](O[C@@H](C1=O)CC2=CC=C(C=C2)F)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)Br.
What is the InChIKey of US11407721, Example 6?
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 US11407721, Example 6?
US11407721, Example 6 has a molecular weight of 533.20 g/mol, XLogP of 5.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for US11407721, Example 6 is sourced from PubChem (CID 86281117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).