5-(5-bromo-2-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-5-methyl-2-phenylmorpholin-3-one

C25H23BrFNO3 — CID 76688700

IUPAC5-(5-bromo-2-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-5-methyl-2-phenylmorpholin-3-one
SMILESCOc1ccc(CN2C(=O)C(c3ccccc3)OCC2(C)c2cc(Br)ccc2F)cc1
InChIInChI=1S/C25H23BrFNO3/c1-25(21-14-19(26)10-13-22(21)27)16-31-23(18-6-4-3-5-7-18)24(29)28(25)15-17-8-11-20(30-2)12-9-17/h3-14,23H,15-16H2,1-2H3
InChIKeyCNSAZWSVTWGHEH-UHFFFAOYSA-N
MW484.37 g/mol
LogP5.61
Rot. Bonds5

About 5-(5-bromo-2-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-5-methyl-2-phenylmorpholin-3-one

5-(5-bromo-2-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-5-methyl-2-phenylmorpholin-3-one (PubChem CID 76688700) has the molecular formula C25H23BrFNO3 and a molecular weight of 484.37 g/mol. Its IUPAC name is 5-(5-bromo-2-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-5-methyl-2-phenylmorpholin-3-one.

Molecular Properties

Compound Name5-(5-bromo-2-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-5-methyl-2-phenylmorpholin-3-one
PubChem CID76688700
Molecular FormulaC25H23BrFNO3
Molecular Weight484.37 g/mol
Exact Mass483.08
IUPAC Name5-(5-bromo-2-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-5-methyl-2-phenylmorpholin-3-one
SMILESCOc1ccc(CN2C(=O)C(c3ccccc3)OCC2(C)c2cc(Br)ccc2F)cc1
InChIInChI=1S/C25H23BrFNO3/c1-25(21-14-19(26)10-13-22(21)27)16-31-23(18-6-4-3-5-7-18)24(29)28(25)15-17-8-11-20(30-2)12-9-17/h3-14,23H,15-16H2,1-2H3
InChIKeyCNSAZWSVTWGHEH-UHFFFAOYSA-N
XLogP5.61
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.37
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(5-bromo-2-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-3-methyl-1,4-oxazepan-5-one
CID 58563118
(3aR,6aS)-5-benzyl-6a-(5-bromo-2-fluorophenyl)-1-[(4-methoxyphenyl)methyl]-3,3a,4,6-tetrahydropyrrolo[3,4-c][1,2]oxazole
CID 122462083
5-bromo-6-fluoro-2-[(4-methoxyphenyl)methyl]-3,3-dimethylisoindol-1-one
CID 172803387
6a-(5-bromo-2-fluorophenyl)-1-[(4-methoxyphenyl)methyl]-5-prop-2-enyl-3,3a,4,6-tetrahydropyrrolo[3,4-c][1,2]oxazole
CID 118961654
3-(5-bromo-3,3-dimethyl-2-oxoindol-1-yl)-1-[(4-methoxyphenyl)methyl]piperidine-2,6-dione
CID 177301914
(3R)-3-[(3S)-1-benzyl-6-bromo-3-[(4-bromophenyl)methyl]-2-oxoindol-3-yl]-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione
CID 139259388
5-(bromomethyl)-1-[(4-methoxyphenyl)methyl]-6-phenylpiperidin-2-one
CID 122621996
(2S,5R)-2-benzyl-5-(5-bromo-2-fluorophenyl)-5-methylmorpholin-3-one
CID 66931472
3-bromo-6-[(4-methoxyphenyl)methyl]-5,5-dimethylpyrrolo[3,4-b]pyridin-7-one
CID 167350481
(3R,4S)-3-ethenyl-1-[(4-methoxyphenyl)methyl]-4-phenylazetidin-2-one
CID 10266407
6-bromo-1-[(3,4-difluorophenyl)methyl]-3-[(4-methoxyphenyl)methyl]quinazoline-2,4-dione
CID 178020558
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Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-2-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-5-methyl-2-phenylmorpholin-3-one?
The IUPAC name of 5-(5-bromo-2-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-5-methyl-2-phenylmorpholin-3-one (CID 76688700) is 5-(5-bromo-2-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-5-methyl-2-phenylmorpholin-3-one.
What is the SMILES notation for 5-(5-bromo-2-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-5-methyl-2-phenylmorpholin-3-one?
The canonical SMILES for 5-(5-bromo-2-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-5-methyl-2-phenylmorpholin-3-one is COc1ccc(CN2C(=O)C(c3ccccc3)OCC2(C)c2cc(Br)ccc2F)cc1.
What is the InChIKey of 5-(5-bromo-2-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-5-methyl-2-phenylmorpholin-3-one?
The InChIKey is CNSAZWSVTWGHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23BrFNO3/c1-25(21-14-19(26)10-13-22(21)27)16-31-23(18-6-4-3-5-7-18)24(29)28(25)15-17-8-11-20(30-2)12-9-17/h3-14,23H,15-16H2,1-2H3.
What are the key properties of 5-(5-bromo-2-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-5-methyl-2-phenylmorpholin-3-one?
5-(5-bromo-2-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-5-methyl-2-phenylmorpholin-3-one has a molecular weight of 484.37 g/mol, XLogP of 5.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-2-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-5-methyl-2-phenylmorpholin-3-one is sourced from PubChem (CID 76688700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).