1-(4-bromophenyl)-3-[2-(4-bromophenyl)morpholin-4-yl]propan-1-one

C19H19Br2NO2 — CID 10766089

IUPAC1-(4-bromophenyl)-3-[2-(4-bromophenyl)morpholin-4-yl]propan-1-one
SMILESO=C(CCN1CCOC(c2ccc(Br)cc2)C1)c1ccc(Br)cc1
InChIInChI=1S/C19H19Br2NO2/c20-16-5-1-14(2-6-16)18(23)9-10-22-11-12-24-19(13-22)15-3-7-17(21)8-4-15/h1-8,19H,9-13H2
InChIKeyIEMQZVFCWDVABU-UHFFFAOYSA-N
MW453.17 g/mol
LogP4.86
Rot. Bonds5

About 1-(4-bromophenyl)-3-[2-(4-bromophenyl)morpholin-4-yl]propan-1-one

1-(4-bromophenyl)-3-[2-(4-bromophenyl)morpholin-4-yl]propan-1-one (PubChem CID 10766089) has the molecular formula C19H19Br2NO2 and a molecular weight of 453.17 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-[2-(4-bromophenyl)morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-[2-(4-bromophenyl)morpholin-4-yl]propan-1-one
PubChem CID10766089
Molecular FormulaC19H19Br2NO2
Molecular Weight453.17 g/mol
Exact Mass450.98
IUPAC Name1-(4-bromophenyl)-3-[2-(4-bromophenyl)morpholin-4-yl]propan-1-one
SMILESO=C(CCN1CCOC(c2ccc(Br)cc2)C1)c1ccc(Br)cc1
InChIInChI=1S/C19H19Br2NO2/c20-16-5-1-14(2-6-16)18(23)9-10-22-11-12-24-19(13-22)15-3-7-17(21)8-4-15/h1-8,19H,9-13H2
InChIKeyIEMQZVFCWDVABU-UHFFFAOYSA-N
XLogP4.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.17
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2S)-2-(4-bromophenyl)morpholin-4-yl]-N-carbamoylpropanamide
CID 52505045
2-[2-(4-bromophenyl)morpholin-4-yl]acetamide
CID 47410373
1-(4-bromophenyl)-3-(2-methyl-1,4-oxazepan-4-yl)propan-1-one
CID 55140173
1-[4-[4-(2-bromoethyl)morpholin-2-yl]phenyl]ethanone
CID 57221031
(2S)-2-(4-bromophenyl)-4-(2-methylsulfonylethyl)morpholine
CID 94200141
1-(4-fluorophenyl)-4-(2-phenylmorpholin-4-yl)butan-1-one
CID 2893561
4-bromo-N-[4-(2-phenylmorpholin-4-yl)butyl]benzamide
CID 16892637
3-[(2R)-2-(4-bromophenyl)morpholin-4-yl]-N-(2-cyanoethyl)-N-methylpropanamide
CID 124573621
1-(azetidin-1-yl)-2-[2-(4-bromophenyl)morpholin-4-yl]ethanone
CID 71937098
3-(2-phenylmorpholin-4-yl)propanoic acid
CID 119134654
1-(4-bromophenyl)-3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one
CID 62612808
1-(4-bromophenyl)-2-[(2S)-2-methylmorpholin-4-yl]ethanone
CID 92858348

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-[2-(4-bromophenyl)morpholin-4-yl]propan-1-one?
The IUPAC name of 1-(4-bromophenyl)-3-[2-(4-bromophenyl)morpholin-4-yl]propan-1-one (CID 10766089) is 1-(4-bromophenyl)-3-[2-(4-bromophenyl)morpholin-4-yl]propan-1-one.
What is the SMILES notation for 1-(4-bromophenyl)-3-[2-(4-bromophenyl)morpholin-4-yl]propan-1-one?
The canonical SMILES for 1-(4-bromophenyl)-3-[2-(4-bromophenyl)morpholin-4-yl]propan-1-one is O=C(CCN1CCOC(c2ccc(Br)cc2)C1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-[2-(4-bromophenyl)morpholin-4-yl]propan-1-one?
The InChIKey is IEMQZVFCWDVABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Br2NO2/c20-16-5-1-14(2-6-16)18(23)9-10-22-11-12-24-19(13-22)15-3-7-17(21)8-4-15/h1-8,19H,9-13H2.
What are the key properties of 1-(4-bromophenyl)-3-[2-(4-bromophenyl)morpholin-4-yl]propan-1-one?
1-(4-bromophenyl)-3-[2-(4-bromophenyl)morpholin-4-yl]propan-1-one has a molecular weight of 453.17 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-[2-(4-bromophenyl)morpholin-4-yl]propan-1-one is sourced from PubChem (CID 10766089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).