2-(2-bromo-5-chlorophenyl)-2-chloro-1-morpholin-4-ylethanone

C12H12BrCl2NO2 — CID 66159358

IUPAC2-(2-bromo-5-chlorophenyl)-2-chloro-1-morpholin-4-ylethanone
SMILESO=C(C(Cl)c1cc(Cl)ccc1Br)N1CCOCC1
InChIInChI=1S/C12H12BrCl2NO2/c13-10-2-1-8(14)7-9(10)11(15)12(17)16-3-5-18-6-4-16/h1-2,7,11H,3-6H2
InChIKeyFXOSQVGZLZUBSF-UHFFFAOYSA-N
MW353.04 g/mol
LogP3.24
Rot. Bonds2

About 2-(2-bromo-5-chlorophenyl)-2-chloro-1-morpholin-4-ylethanone

2-(2-bromo-5-chlorophenyl)-2-chloro-1-morpholin-4-ylethanone (PubChem CID 66159358) has the molecular formula C12H12BrCl2NO2 and a molecular weight of 353.04 g/mol. Its IUPAC name is 2-(2-bromo-5-chlorophenyl)-2-chloro-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(2-bromo-5-chlorophenyl)-2-chloro-1-morpholin-4-ylethanone
PubChem CID66159358
Molecular FormulaC12H12BrCl2NO2
Molecular Weight353.04 g/mol
Exact Mass350.94
IUPAC Name2-(2-bromo-5-chlorophenyl)-2-chloro-1-morpholin-4-ylethanone
SMILESO=C(C(Cl)c1cc(Cl)ccc1Br)N1CCOCC1
InChIInChI=1S/C12H12BrCl2NO2/c13-10-2-1-8(14)7-9(10)11(15)12(17)16-3-5-18-6-4-16/h1-2,7,11H,3-6H2
InChIKeyFXOSQVGZLZUBSF-UHFFFAOYSA-N
XLogP3.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.04
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-2-(2,4-dichlorophenyl)-1-morpholin-4-ylethanone
CID 62226501
(2R)-2-(2-bromo-4-chlorophenoxy)-1-morpholin-4-yl-2-phenylethanone
CID 7706069
2-chloro-2-(3-chloro-4-methylphenyl)-1-morpholin-4-ylethanone
CID 106818467
2-[4-chloro-2-(1-hydroxyethyl)phenoxy]-1-morpholin-4-ylpropan-1-one
CID 62074940
2-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-chloro-1-morpholin-4-ylethanone
CID 62224279
2-(5-chloro-2-fluoroanilino)-1-morpholin-4-ylpropan-1-one
CID 43385605
(2S)-2-(3-chlorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 898248
(2-amino-5-chlorophenyl)-morpholin-4-ylmethanone
CID 16776415
2-chloro-1-morpholin-4-yl-2-thiophen-2-ylethanone
CID 62225934
(2S)-2-(3,5-dichlorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 95165980
2-chloro-2-(4-ethylphenyl)-1-morpholin-4-ylethanone
CID 62224102
2-(2-bromo-5-chlorophenyl)-2-piperidin-1-ylacetic acid
CID 66157085

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-chlorophenyl)-2-chloro-1-morpholin-4-ylethanone?
The IUPAC name of 2-(2-bromo-5-chlorophenyl)-2-chloro-1-morpholin-4-ylethanone (CID 66159358) is 2-(2-bromo-5-chlorophenyl)-2-chloro-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(2-bromo-5-chlorophenyl)-2-chloro-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(2-bromo-5-chlorophenyl)-2-chloro-1-morpholin-4-ylethanone is O=C(C(Cl)c1cc(Cl)ccc1Br)N1CCOCC1.
What is the InChIKey of 2-(2-bromo-5-chlorophenyl)-2-chloro-1-morpholin-4-ylethanone?
The InChIKey is FXOSQVGZLZUBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrCl2NO2/c13-10-2-1-8(14)7-9(10)11(15)12(17)16-3-5-18-6-4-16/h1-2,7,11H,3-6H2.
What are the key properties of 2-(2-bromo-5-chlorophenyl)-2-chloro-1-morpholin-4-ylethanone?
2-(2-bromo-5-chlorophenyl)-2-chloro-1-morpholin-4-ylethanone has a molecular weight of 353.04 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-chlorophenyl)-2-chloro-1-morpholin-4-ylethanone is sourced from PubChem (CID 66159358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).