(2S,5R)-2-benzyl-5-(5-bromo-2-fluorophenyl)-5-methylmorpholin-3-one

C18H17BrFNO2 — CID 66931472

IUPAC(2S,5R)-2-benzyl-5-(5-bromo-2-fluorophenyl)-5-methylmorpholin-3-one
SMILESC[C@@]1(c2cc(Br)ccc2F)CO[C@@H](Cc2ccccc2)C(=O)N1
InChIInChI=1S/C18H17BrFNO2/c1-18(14-10-13(19)7-8-15(14)20)11-23-16(17(22)21-18)9-12-5-3-2-4-6-12/h2-8,10,16H,9,11H2,1H3,(H,21,22)/t16-,18-/m0/s1
InChIKeyLAHAWTWXSBPBGP-WMZOPIPTSA-N
MW378.24 g/mol
LogP3.56
Rot. Bonds3

About (2S,5R)-2-benzyl-5-(5-bromo-2-fluorophenyl)-5-methylmorpholin-3-one

(2S,5R)-2-benzyl-5-(5-bromo-2-fluorophenyl)-5-methylmorpholin-3-one (PubChem CID 66931472) has the molecular formula C18H17BrFNO2 and a molecular weight of 378.24 g/mol. Its IUPAC name is (2S,5R)-2-benzyl-5-(5-bromo-2-fluorophenyl)-5-methylmorpholin-3-one.

Molecular Properties

Compound Name(2S,5R)-2-benzyl-5-(5-bromo-2-fluorophenyl)-5-methylmorpholin-3-one
PubChem CID66931472
Molecular FormulaC18H17BrFNO2
Molecular Weight378.24 g/mol
Exact Mass377.04
IUPAC Name(2S,5R)-2-benzyl-5-(5-bromo-2-fluorophenyl)-5-methylmorpholin-3-one
SMILESC[C@@]1(c2cc(Br)ccc2F)CO[C@@H](Cc2ccccc2)C(=O)N1
InChIInChI=1S/C18H17BrFNO2/c1-18(14-10-13(19)7-8-15(14)20)11-23-16(17(22)21-18)9-12-5-3-2-4-6-12/h2-8,10,16H,9,11H2,1H3,(H,21,22)/t16-,18-/m0/s1
InChIKeyLAHAWTWXSBPBGP-WMZOPIPTSA-N
XLogP3.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.24
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5R)-5-(3-bromophenyl)-5-methylmorpholin-3-one
CID 60200872
3-(5-Bromo-2,4-difluorophenyl)-3-methylmorpholine-2,5-dione
CID 57495974
(2R,5S)-2-benzyl-5-(5-bromo-2-fluoro-phenyl)-5-methyl-morpholin-3-one
CID 58155180
(R)-5-(5-bromo-2-fluoro-phenyl)-5,6,6-trimethyl-morpholin-3-one
CID 58155211
(2RS)-bromo-N-[(RS)-1-(5-bromo-2-fluoro-phenyl)-2-hydroxy-1-methyl-ethyl]-3-phenyl-propionamide
CID 58155233
5-(5-Bromo-2-fluorophenyl)-5-methylmorpholin-3-one
CID 58155262
(R)-5-(5-bromo-2-fluoro-phenyl)-5-methyl-morpholin-3-one
CID 58155287
(RS)-5-(5-bromo-2-fluoro-phenyl)-5-cyclopropyl-morpholin-3-one
CID 58155298
(5R)-5-(5-bromo-2-fluorophenyl)-5-methyl-2-phenylmorpholin-3-one
CID 58155307
(S)-5-(5-Bromo-2-fluoro-phenyl)-5,7,7-trimethyl-[1,4]oxazepan-3-one
CID 58563092
5-(3-Bromo-phenyl)-5-difluoromethyl-morpholin-3-one
CID 66665407
5-(3-Bromo-phenyl)-5-trifluoromethyl-morpholin-3-one
CID 66665410

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-2-benzyl-5-(5-bromo-2-fluorophenyl)-5-methylmorpholin-3-one?
The IUPAC name of (2S,5R)-2-benzyl-5-(5-bromo-2-fluorophenyl)-5-methylmorpholin-3-one (CID 66931472) is (2S,5R)-2-benzyl-5-(5-bromo-2-fluorophenyl)-5-methylmorpholin-3-one.
What is the SMILES notation for (2S,5R)-2-benzyl-5-(5-bromo-2-fluorophenyl)-5-methylmorpholin-3-one?
The canonical SMILES for (2S,5R)-2-benzyl-5-(5-bromo-2-fluorophenyl)-5-methylmorpholin-3-one is C[C@@]1(c2cc(Br)ccc2F)CO[C@@H](Cc2ccccc2)C(=O)N1.
What is the InChIKey of (2S,5R)-2-benzyl-5-(5-bromo-2-fluorophenyl)-5-methylmorpholin-3-one?
The InChIKey is LAHAWTWXSBPBGP-WMZOPIPTSA-N. The full InChI is InChI=1S/C18H17BrFNO2/c1-18(14-10-13(19)7-8-15(14)20)11-23-16(17(22)21-18)9-12-5-3-2-4-6-12/h2-8,10,16H,9,11H2,1H3,(H,21,22)/t16-,18-/m0/s1.
What are the key properties of (2S,5R)-2-benzyl-5-(5-bromo-2-fluorophenyl)-5-methylmorpholin-3-one?
(2S,5R)-2-benzyl-5-(5-bromo-2-fluorophenyl)-5-methylmorpholin-3-one has a molecular weight of 378.24 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-2-benzyl-5-(5-bromo-2-fluorophenyl)-5-methylmorpholin-3-one is sourced from PubChem (CID 66931472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).