(6-bromo-2,2-diphenyl-1,3-benzodioxol-5-yl)-morpholin-4-ylmethanone

C24H20BrNO4 — CID 22475120

IUPAC(6-bromo-2,2-diphenyl-1,3-benzodioxol-5-yl)-morpholin-4-ylmethanone
SMILESO=C(c1cc2c(cc1Br)OC(c1ccccc1)(c1ccccc1)O2)N1CCOCC1
InChIInChI=1S/C24H20BrNO4/c25-20-16-22-21(15-19(20)23(27)26-11-13-28-14-12-26)29-24(30-22,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,15-16H,11-14H2
InChIKeyMUGUIPZHIXFYJB-UHFFFAOYSA-N
MW466.33 g/mol
LogP4.59
Rot. Bonds3

About (6-bromo-2,2-diphenyl-1,3-benzodioxol-5-yl)-morpholin-4-ylmethanone

(6-bromo-2,2-diphenyl-1,3-benzodioxol-5-yl)-morpholin-4-ylmethanone (PubChem CID 22475120) has the molecular formula C24H20BrNO4 and a molecular weight of 466.33 g/mol. Its IUPAC name is (6-bromo-2,2-diphenyl-1,3-benzodioxol-5-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(6-bromo-2,2-diphenyl-1,3-benzodioxol-5-yl)-morpholin-4-ylmethanone
PubChem CID22475120
Molecular FormulaC24H20BrNO4
Molecular Weight466.33 g/mol
Exact Mass465.06
IUPAC Name(6-bromo-2,2-diphenyl-1,3-benzodioxol-5-yl)-morpholin-4-ylmethanone
SMILESO=C(c1cc2c(cc1Br)OC(c1ccccc1)(c1ccccc1)O2)N1CCOCC1
InChIInChI=1S/C24H20BrNO4/c25-20-16-22-21(15-19(20)23(27)26-11-13-28-14-12-26)29-24(30-22,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,15-16H,11-14H2
InChIKeyMUGUIPZHIXFYJB-UHFFFAOYSA-N
XLogP4.59
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.33
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-bromo-2,2-diphenyl-1,3-benzodioxol-5-yl)-morpholin-4-ylmethanone?
The IUPAC name of (6-bromo-2,2-diphenyl-1,3-benzodioxol-5-yl)-morpholin-4-ylmethanone (CID 22475120) is (6-bromo-2,2-diphenyl-1,3-benzodioxol-5-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (6-bromo-2,2-diphenyl-1,3-benzodioxol-5-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (6-bromo-2,2-diphenyl-1,3-benzodioxol-5-yl)-morpholin-4-ylmethanone is O=C(c1cc2c(cc1Br)OC(c1ccccc1)(c1ccccc1)O2)N1CCOCC1.
What is the InChIKey of (6-bromo-2,2-diphenyl-1,3-benzodioxol-5-yl)-morpholin-4-ylmethanone?
The InChIKey is MUGUIPZHIXFYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20BrNO4/c25-20-16-22-21(15-19(20)23(27)26-11-13-28-14-12-26)29-24(30-22,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,15-16H,11-14H2.
What are the key properties of (6-bromo-2,2-diphenyl-1,3-benzodioxol-5-yl)-morpholin-4-ylmethanone?
(6-bromo-2,2-diphenyl-1,3-benzodioxol-5-yl)-morpholin-4-ylmethanone has a molecular weight of 466.33 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-2,2-diphenyl-1,3-benzodioxol-5-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 22475120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).