(5R)-5-(5-bromo-2-fluorophenyl)-5-methyl-2-phenylmorpholin-3-one

C17H15BrFNO2 — CID 58155307

IUPAC(5R)-5-(5-bromo-2-fluorophenyl)-5-methyl-2-phenylmorpholin-3-one
SMILESC[C@@]1(c2cc(Br)ccc2F)COC(c2ccccc2)C(=O)N1
InChIInChI=1S/C17H15BrFNO2/c1-17(13-9-12(18)7-8-14(13)19)10-22-15(16(21)20-17)11-5-3-2-4-6-11/h2-9,15H,10H2,1H3,(H,20,21)/t15?,17-/m0/s1
InChIKeyLLGAYAOYECMPBG-LWKPJOBUSA-N
MW364.21 g/mol
LogP3.69
Rot. Bonds2

About (5R)-5-(5-bromo-2-fluorophenyl)-5-methyl-2-phenylmorpholin-3-one

(5R)-5-(5-bromo-2-fluorophenyl)-5-methyl-2-phenylmorpholin-3-one (PubChem CID 58155307) has the molecular formula C17H15BrFNO2 and a molecular weight of 364.21 g/mol. Its IUPAC name is (5R)-5-(5-bromo-2-fluorophenyl)-5-methyl-2-phenylmorpholin-3-one.

Molecular Properties

Compound Name(5R)-5-(5-bromo-2-fluorophenyl)-5-methyl-2-phenylmorpholin-3-one
PubChem CID58155307
Molecular FormulaC17H15BrFNO2
Molecular Weight364.21 g/mol
Exact Mass363.03
IUPAC Name(5R)-5-(5-bromo-2-fluorophenyl)-5-methyl-2-phenylmorpholin-3-one
SMILESC[C@@]1(c2cc(Br)ccc2F)COC(c2ccccc2)C(=O)N1
InChIInChI=1S/C17H15BrFNO2/c1-17(13-9-12(18)7-8-14(13)19)10-22-15(16(21)20-17)11-5-3-2-4-6-11/h2-9,15H,10H2,1H3,(H,20,21)/t15?,17-/m0/s1
InChIKeyLLGAYAOYECMPBG-LWKPJOBUSA-N
XLogP3.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.21
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(5-bromo-2-fluorophenyl)-5-methyl-2-phenylmorpholin-3-one?
The IUPAC name of (5R)-5-(5-bromo-2-fluorophenyl)-5-methyl-2-phenylmorpholin-3-one (CID 58155307) is (5R)-5-(5-bromo-2-fluorophenyl)-5-methyl-2-phenylmorpholin-3-one.
What is the SMILES notation for (5R)-5-(5-bromo-2-fluorophenyl)-5-methyl-2-phenylmorpholin-3-one?
The canonical SMILES for (5R)-5-(5-bromo-2-fluorophenyl)-5-methyl-2-phenylmorpholin-3-one is C[C@@]1(c2cc(Br)ccc2F)COC(c2ccccc2)C(=O)N1.
What is the InChIKey of (5R)-5-(5-bromo-2-fluorophenyl)-5-methyl-2-phenylmorpholin-3-one?
The InChIKey is LLGAYAOYECMPBG-LWKPJOBUSA-N. The full InChI is InChI=1S/C17H15BrFNO2/c1-17(13-9-12(18)7-8-14(13)19)10-22-15(16(21)20-17)11-5-3-2-4-6-11/h2-9,15H,10H2,1H3,(H,20,21)/t15?,17-/m0/s1.
What are the key properties of (5R)-5-(5-bromo-2-fluorophenyl)-5-methyl-2-phenylmorpholin-3-one?
(5R)-5-(5-bromo-2-fluorophenyl)-5-methyl-2-phenylmorpholin-3-one has a molecular weight of 364.21 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(5-bromo-2-fluorophenyl)-5-methyl-2-phenylmorpholin-3-one is sourced from PubChem (CID 58155307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).