1-(azetidin-1-yl)-2-[2-(4-bromophenyl)morpholin-4-yl]ethanone

C15H19BrN2O2 — CID 71937098

IUPAC1-(azetidin-1-yl)-2-[2-(4-bromophenyl)morpholin-4-yl]ethanone
SMILESO=C(CN1CCOC(c2ccc(Br)cc2)C1)N1CCC1
InChIInChI=1S/C15H19BrN2O2/c16-13-4-2-12(3-5-13)14-10-17(8-9-20-14)11-15(19)18-6-1-7-18/h2-5,14H,1,6-11H2
InChIKeyNKWBIMQUNVIOGX-UHFFFAOYSA-N
MW339.23 g/mol
LogP2.05
Rot. Bonds3

About 1-(azetidin-1-yl)-2-[2-(4-bromophenyl)morpholin-4-yl]ethanone

1-(azetidin-1-yl)-2-[2-(4-bromophenyl)morpholin-4-yl]ethanone (PubChem CID 71937098) has the molecular formula C15H19BrN2O2 and a molecular weight of 339.23 g/mol. Its IUPAC name is 1-(azetidin-1-yl)-2-[2-(4-bromophenyl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name1-(azetidin-1-yl)-2-[2-(4-bromophenyl)morpholin-4-yl]ethanone
PubChem CID71937098
Molecular FormulaC15H19BrN2O2
Molecular Weight339.23 g/mol
Exact Mass338.06
IUPAC Name1-(azetidin-1-yl)-2-[2-(4-bromophenyl)morpholin-4-yl]ethanone
SMILESO=C(CN1CCOC(c2ccc(Br)cc2)C1)N1CCC1
InChIInChI=1S/C15H19BrN2O2/c16-13-4-2-12(3-5-13)14-10-17(8-9-20-14)11-15(19)18-6-1-7-18/h2-5,14H,1,6-11H2
InChIKeyNKWBIMQUNVIOGX-UHFFFAOYSA-N
XLogP2.05
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(azetidin-1-yl)-2-[2-(4-bromophenyl)morpholin-4-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(azepan-1-yl)-2-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]ethanone
CID 138994235
2-[2-(4-bromophenyl)morpholin-4-yl]acetamide
CID 47410373
1-(4-bromophenyl)-3-[2-(4-bromophenyl)morpholin-4-yl]propan-1-one
CID 10766089
3-[(2S)-2-(4-bromophenyl)morpholin-4-yl]-N-carbamoylpropanamide
CID 52505045
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-pyrrolidin-1-ylethanone
CID 56741046
N-[(3S)-1-[2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]acetyl]piperidin-3-yl]acetamide
CID 124831920
1-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-2-piperidin-1-ylethanone
CID 95197348
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-morpholin-4-ylethanone
CID 56757034
(2S)-2-(4-bromophenyl)-4-(2-methylsulfonylethyl)morpholine
CID 94200141
2-[(2R)-2-(4-bromophenyl)morpholin-4-yl]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 95679589
2-(4-bromophenyl)-N-(2,2-dimethylpropyl)morpholine-4-carboxamide
CID 110664960
[2-(4-bromophenyl)morpholin-4-yl]-(oxolan-2-yl)methanone
CID 47404799

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-1-yl)-2-[2-(4-bromophenyl)morpholin-4-yl]ethanone?
The IUPAC name of 1-(azetidin-1-yl)-2-[2-(4-bromophenyl)morpholin-4-yl]ethanone (CID 71937098) is 1-(azetidin-1-yl)-2-[2-(4-bromophenyl)morpholin-4-yl]ethanone.
What is the SMILES notation for 1-(azetidin-1-yl)-2-[2-(4-bromophenyl)morpholin-4-yl]ethanone?
The canonical SMILES for 1-(azetidin-1-yl)-2-[2-(4-bromophenyl)morpholin-4-yl]ethanone is O=C(CN1CCOC(c2ccc(Br)cc2)C1)N1CCC1.
What is the InChIKey of 1-(azetidin-1-yl)-2-[2-(4-bromophenyl)morpholin-4-yl]ethanone?
The InChIKey is NKWBIMQUNVIOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O2/c16-13-4-2-12(3-5-13)14-10-17(8-9-20-14)11-15(19)18-6-1-7-18/h2-5,14H,1,6-11H2.
What are the key properties of 1-(azetidin-1-yl)-2-[2-(4-bromophenyl)morpholin-4-yl]ethanone?
1-(azetidin-1-yl)-2-[2-(4-bromophenyl)morpholin-4-yl]ethanone has a molecular weight of 339.23 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-1-yl)-2-[2-(4-bromophenyl)morpholin-4-yl]ethanone is sourced from PubChem (CID 71937098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).