1,3-benzodioxol-5-yl-[2-(4-bromophenyl)morpholin-4-yl]methanone

C18H16BrNO4 — CID 47913286

IUPAC1,3-benzodioxol-5-yl-[2-(4-bromophenyl)morpholin-4-yl]methanone
SMILESO=C(c1ccc2c(c1)OCO2)N1CCOC(c2ccc(Br)cc2)C1
InChIInChI=1S/C18H16BrNO4/c19-14-4-1-12(2-5-14)17-10-20(7-8-22-17)18(21)13-3-6-15-16(9-13)24-11-23-15/h1-6,9,17H,7-8,10-11H2
InChIKeyFFYAHUILTSCBNN-UHFFFAOYSA-N
MW390.23 g/mol
LogP3.39
Rot. Bonds2

About 1,3-benzodioxol-5-yl-[2-(4-bromophenyl)morpholin-4-yl]methanone

1,3-benzodioxol-5-yl-[2-(4-bromophenyl)morpholin-4-yl]methanone (PubChem CID 47913286) has the molecular formula C18H16BrNO4 and a molecular weight of 390.23 g/mol. Its IUPAC name is 1,3-benzodioxol-5-yl-[2-(4-bromophenyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name1,3-benzodioxol-5-yl-[2-(4-bromophenyl)morpholin-4-yl]methanone
PubChem CID47913286
Molecular FormulaC18H16BrNO4
Molecular Weight390.23 g/mol
Exact Mass389.03
IUPAC Name1,3-benzodioxol-5-yl-[2-(4-bromophenyl)morpholin-4-yl]methanone
SMILESO=C(c1ccc2c(c1)OCO2)N1CCOC(c2ccc(Br)cc2)C1
InChIInChI=1S/C18H16BrNO4/c19-14-4-1-12(2-5-14)17-10-20(7-8-22-17)18(21)13-3-6-15-16(9-13)24-11-23-15/h1-6,9,17H,7-8,10-11H2
InChIKeyFFYAHUILTSCBNN-UHFFFAOYSA-N
XLogP3.39
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.23
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-benzodioxol-5-yl-[2-(4-methoxyphenyl)morpholin-4-yl]methanone
CID 110327211
[2-(4-bromophenyl)morpholin-4-yl]-(4-fluorophenyl)methanone
CID 47913292
[2-(4-bromophenyl)morpholin-4-yl]-(3-chlorophenyl)methanone
CID 47913302
[(2R)-2-(4-bromophenyl)morpholin-4-yl]-(1H-indol-6-yl)methanone
CID 95215393
1,3-benzodioxol-5-yl-[2-(bromomethyl)morpholin-4-yl]methanone
CID 81211800
[2-(4-bromophenyl)morpholin-4-yl]-(3,5-dinitrophenyl)methanone
CID 60587125
1,3-benzodioxol-5-yl-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone
CID 125012365
1,3-benzodioxol-5-yl-[2-[3-(dimethylamino)pyrazin-2-yl]morpholin-4-yl]methanone
CID 110113060
1,3-benzodioxol-5-yl-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone
CID 125018775
1,3-benzodioxol-5-yl-(2-ethylmorpholin-4-yl)methanone
CID 43070650
1,3-benzodioxol-5-yl-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 129339118
[2-(4-bromophenyl)morpholin-4-yl]-(2,5-difluorophenyl)methanone
CID 47913144

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-yl-[2-(4-bromophenyl)morpholin-4-yl]methanone?
The IUPAC name of 1,3-benzodioxol-5-yl-[2-(4-bromophenyl)morpholin-4-yl]methanone (CID 47913286) is 1,3-benzodioxol-5-yl-[2-(4-bromophenyl)morpholin-4-yl]methanone.
What is the SMILES notation for 1,3-benzodioxol-5-yl-[2-(4-bromophenyl)morpholin-4-yl]methanone?
The canonical SMILES for 1,3-benzodioxol-5-yl-[2-(4-bromophenyl)morpholin-4-yl]methanone is O=C(c1ccc2c(c1)OCO2)N1CCOC(c2ccc(Br)cc2)C1.
What is the InChIKey of 1,3-benzodioxol-5-yl-[2-(4-bromophenyl)morpholin-4-yl]methanone?
The InChIKey is FFYAHUILTSCBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrNO4/c19-14-4-1-12(2-5-14)17-10-20(7-8-22-17)18(21)13-3-6-15-16(9-13)24-11-23-15/h1-6,9,17H,7-8,10-11H2.
What are the key properties of 1,3-benzodioxol-5-yl-[2-(4-bromophenyl)morpholin-4-yl]methanone?
1,3-benzodioxol-5-yl-[2-(4-bromophenyl)morpholin-4-yl]methanone has a molecular weight of 390.23 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxol-5-yl-[2-(4-bromophenyl)morpholin-4-yl]methanone is sourced from PubChem (CID 47913286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).