(2R)-2-(4-bromophenyl)-2-(hydroxyamino)-1-morpholin-4-ylethanone

C12H15BrN2O3 — CID 125484130

IUPAC(2R)-2-(4-bromophenyl)-2-(hydroxyamino)-1-morpholin-4-ylethanone
SMILESO=C([C@H](NO)c1ccc(Br)cc1)N1CCOCC1
InChIInChI=1S/C12H15BrN2O3/c13-10-3-1-9(2-4-10)11(14-17)12(16)15-5-7-18-8-6-15/h1-4,11,14,17H,5-8H2/t11-/m1/s1
InChIKeyBKRKBONWZBCKRX-LLVKDONJSA-N
MW315.17 g/mol
LogP1.33
Rot. Bonds3

About (2R)-2-(4-bromophenyl)-2-(hydroxyamino)-1-morpholin-4-ylethanone

(2R)-2-(4-bromophenyl)-2-(hydroxyamino)-1-morpholin-4-ylethanone (PubChem CID 125484130) has the molecular formula C12H15BrN2O3 and a molecular weight of 315.17 g/mol. Its IUPAC name is (2R)-2-(4-bromophenyl)-2-(hydroxyamino)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name(2R)-2-(4-bromophenyl)-2-(hydroxyamino)-1-morpholin-4-ylethanone
PubChem CID125484130
Molecular FormulaC12H15BrN2O3
Molecular Weight315.17 g/mol
Exact Mass314.03
IUPAC Name(2R)-2-(4-bromophenyl)-2-(hydroxyamino)-1-morpholin-4-ylethanone
SMILESO=C([C@H](NO)c1ccc(Br)cc1)N1CCOCC1
InChIInChI=1S/C12H15BrN2O3/c13-10-3-1-9(2-4-10)11(14-17)12(16)15-5-7-18-8-6-15/h1-4,11,14,17H,5-8H2/t11-/m1/s1
InChIKeyBKRKBONWZBCKRX-LLVKDONJSA-N
XLogP1.33
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(4-bromophenyl)-2-morpholin-4-ylacetic acid
CID 93297485
(E)-2-methyl-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-3-phenylprop-2-enamide
CID 110306183
2-(4-bromophenyl)-2-hydroxy-1-morpholin-4-ylethanethione
CID 102364471
N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-2-phenylacetamide
CID 110286922
(3R,4S)-4-(4-bromophenyl)-3,4-dimorpholin-4-ylbutan-2-one
CID 92573477
2-amino-1-morpholin-4-yl-2-phenylethanone
CID 24701957
2-(4-bromophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)acetamide
CID 110712388
2-(4-bromophenyl)-3-morpholin-4-ylpropanoic acid
CID 82095248
N-[1-(4-bromophenyl)ethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 55336133
4-[(2S)-2-(dimethylsulfamoylamino)-2-phenylacetyl]morpholine
CID 110286962
(1Z)-1-[(4-bromophenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one
CID 5456303
1-(4-bromophenyl)-3-morpholin-4-ylbut-2-en-1-one
CID 799118

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-bromophenyl)-2-(hydroxyamino)-1-morpholin-4-ylethanone?
The IUPAC name of (2R)-2-(4-bromophenyl)-2-(hydroxyamino)-1-morpholin-4-ylethanone (CID 125484130) is (2R)-2-(4-bromophenyl)-2-(hydroxyamino)-1-morpholin-4-ylethanone.
What is the SMILES notation for (2R)-2-(4-bromophenyl)-2-(hydroxyamino)-1-morpholin-4-ylethanone?
The canonical SMILES for (2R)-2-(4-bromophenyl)-2-(hydroxyamino)-1-morpholin-4-ylethanone is O=C([C@H](NO)c1ccc(Br)cc1)N1CCOCC1.
What is the InChIKey of (2R)-2-(4-bromophenyl)-2-(hydroxyamino)-1-morpholin-4-ylethanone?
The InChIKey is BKRKBONWZBCKRX-LLVKDONJSA-N. The full InChI is InChI=1S/C12H15BrN2O3/c13-10-3-1-9(2-4-10)11(14-17)12(16)15-5-7-18-8-6-15/h1-4,11,14,17H,5-8H2/t11-/m1/s1.
What are the key properties of (2R)-2-(4-bromophenyl)-2-(hydroxyamino)-1-morpholin-4-ylethanone?
(2R)-2-(4-bromophenyl)-2-(hydroxyamino)-1-morpholin-4-ylethanone has a molecular weight of 315.17 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-bromophenyl)-2-(hydroxyamino)-1-morpholin-4-ylethanone is sourced from PubChem (CID 125484130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).