1-(4-bromophenyl)-2-morpholin-4-ylethanone;hydrochloride

C12H15BrClNO2 — CID 24747690

IUPAC1-(4-bromophenyl)-2-morpholin-4-ylethanone;hydrochloride
SMILESCl.O=C(CN1CCOCC1)c1ccc(Br)cc1
InChIInChI=1S/C12H14BrNO2.ClH/c13-11-3-1-10(2-4-11)12(15)9-14-5-7-16-8-6-14;/h1-4H,5-9H2;1H
InChIKeyAJWKUTUQZMTOAE-UHFFFAOYSA-N
MW320.61 g/mol
LogP2.39
Rot. Bonds3

About 1-(4-bromophenyl)-2-morpholin-4-ylethanone;hydrochloride

1-(4-bromophenyl)-2-morpholin-4-ylethanone;hydrochloride (PubChem CID 24747690) has the molecular formula C12H15BrClNO2 and a molecular weight of 320.61 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-morpholin-4-ylethanone;hydrochloride.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-morpholin-4-ylethanone;hydrochloride
PubChem CID24747690
Molecular FormulaC12H15BrClNO2
Molecular Weight320.61 g/mol
Exact Mass319.00
IUPAC Name1-(4-bromophenyl)-2-morpholin-4-ylethanone;hydrochloride
SMILESCl.O=C(CN1CCOCC1)c1ccc(Br)cc1
InChIInChI=1S/C12H14BrNO2.ClH/c13-11-3-1-10(2-4-11)12(15)9-14-5-7-16-8-6-14;/h1-4H,5-9H2;1H
InChIKeyAJWKUTUQZMTOAE-UHFFFAOYSA-N
XLogP2.39
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.61
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 63170407
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CID 134064690
2-morpholin-4-yl-1-(4-propylphenyl)ethanone
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1-(4-bromophenyl)-2-[(2S)-2-methylmorpholin-4-yl]ethanone
CID 92858348
1-(4-bromophenyl)-2-(4-propylpiperazin-1-yl)ethanone
CID 43219918
1-(1-methylpyrrol-3-yl)-2-morpholin-4-ylethanone
CID 43227706
4-[2-(1,4-oxazepan-4-yl)acetyl]benzonitrile
CID 62973437
1-(3-amino-4-chlorophenyl)-2-morpholin-4-ylethanone
CID 82482111
4-bromo-N-(3-morpholin-4-ylpropyl)benzamide
CID 2298646
3-(4-bromophenyl)-1-(4-morpholin-4-ylphenyl)propan-1-one
CID 91755643
1-(3-chlorophenyl)-2-morpholin-4-ylethanone
CID 43227690
1-(3-chloro-4-methoxyphenyl)-2-morpholin-4-ylethanone
CID 43227712

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-morpholin-4-ylethanone;hydrochloride?
The IUPAC name of 1-(4-bromophenyl)-2-morpholin-4-ylethanone;hydrochloride (CID 24747690) is 1-(4-bromophenyl)-2-morpholin-4-ylethanone;hydrochloride.
What is the SMILES notation for 1-(4-bromophenyl)-2-morpholin-4-ylethanone;hydrochloride?
The canonical SMILES for 1-(4-bromophenyl)-2-morpholin-4-ylethanone;hydrochloride is Cl.O=C(CN1CCOCC1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-morpholin-4-ylethanone;hydrochloride?
The InChIKey is AJWKUTUQZMTOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO2.ClH/c13-11-3-1-10(2-4-11)12(15)9-14-5-7-16-8-6-14;/h1-4H,5-9H2;1H.
What are the key properties of 1-(4-bromophenyl)-2-morpholin-4-ylethanone;hydrochloride?
1-(4-bromophenyl)-2-morpholin-4-ylethanone;hydrochloride has a molecular weight of 320.61 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-morpholin-4-ylethanone;hydrochloride is sourced from PubChem (CID 24747690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).