2-(2-bromo-4-fluorophenyl)-1-(4-ethylmorpholin-2-yl)ethanone

C14H17BrFNO2 — CID 79667003

IUPAC2-(2-bromo-4-fluorophenyl)-1-(4-ethylmorpholin-2-yl)ethanone
SMILESCCN1CCOC(C(=O)Cc2ccc(F)cc2Br)C1
InChIInChI=1S/C14H17BrFNO2/c1-2-17-5-6-19-14(9-17)13(18)7-10-3-4-11(16)8-12(10)15/h3-4,8,14H,2,5-7,9H2,1H3
InChIKeySCEYLVKISJUSSB-UHFFFAOYSA-N
MW330.20 g/mol
LogP2.42
Rot. Bonds4

About 2-(2-bromo-4-fluorophenyl)-1-(4-ethylmorpholin-2-yl)ethanone

2-(2-bromo-4-fluorophenyl)-1-(4-ethylmorpholin-2-yl)ethanone (PubChem CID 79667003) has the molecular formula C14H17BrFNO2 and a molecular weight of 330.20 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenyl)-1-(4-ethylmorpholin-2-yl)ethanone.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenyl)-1-(4-ethylmorpholin-2-yl)ethanone
PubChem CID79667003
Molecular FormulaC14H17BrFNO2
Molecular Weight330.20 g/mol
Exact Mass329.04
IUPAC Name2-(2-bromo-4-fluorophenyl)-1-(4-ethylmorpholin-2-yl)ethanone
SMILESCCN1CCOC(C(=O)Cc2ccc(F)cc2Br)C1
InChIInChI=1S/C14H17BrFNO2/c1-2-17-5-6-19-14(9-17)13(18)7-10-3-4-11(16)8-12(10)15/h3-4,8,14H,2,5-7,9H2,1H3
InChIKeySCEYLVKISJUSSB-UHFFFAOYSA-N
XLogP2.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.20
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethylmorpholin-2-yl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 114347306
2-(2-bromo-5-fluorophenyl)-1-(4-propylmorpholin-2-yl)ethanone
CID 79668927
2-(2-chloro-4-methylphenyl)-1-(4-ethylmorpholin-2-yl)ethanone
CID 106867039
2-(2-bromo-4-fluorophenyl)-1-morpholin-2-ylethanone
CID 116561614
1-(4-ethylmorpholin-2-yl)-2-(4-methylphenyl)ethanone
CID 79666250
2-(3-fluorophenyl)-1-(4-propylmorpholin-2-yl)ethanone
CID 79669537
methyl (2S)-4-[(2-bromo-5-fluorophenyl)methyl]morpholine-2-carboxylate
CID 95295840
(4-ethylmorpholin-2-yl)-(3-fluoro-5-methylphenyl)methanone
CID 79705374
2-(5-bromo-2-methoxyphenyl)-1-(4-propylmorpholin-2-yl)ethanone
CID 79663279
1-(4-ethylmorpholin-2-yl)-2-(1-methylpyrazol-4-yl)ethanone
CID 79666582
1-(4-ethylmorpholin-2-yl)-2-(1-ethylpyrazol-4-yl)ethanone
CID 79666666
5-fluoro-2-[(2-methylmorpholin-4-yl)methyl]benzoic acid
CID 55170973

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenyl)-1-(4-ethylmorpholin-2-yl)ethanone?
The IUPAC name of 2-(2-bromo-4-fluorophenyl)-1-(4-ethylmorpholin-2-yl)ethanone (CID 79667003) is 2-(2-bromo-4-fluorophenyl)-1-(4-ethylmorpholin-2-yl)ethanone.
What is the SMILES notation for 2-(2-bromo-4-fluorophenyl)-1-(4-ethylmorpholin-2-yl)ethanone?
The canonical SMILES for 2-(2-bromo-4-fluorophenyl)-1-(4-ethylmorpholin-2-yl)ethanone is CCN1CCOC(C(=O)Cc2ccc(F)cc2Br)C1.
What is the InChIKey of 2-(2-bromo-4-fluorophenyl)-1-(4-ethylmorpholin-2-yl)ethanone?
The InChIKey is SCEYLVKISJUSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFNO2/c1-2-17-5-6-19-14(9-17)13(18)7-10-3-4-11(16)8-12(10)15/h3-4,8,14H,2,5-7,9H2,1H3.
What are the key properties of 2-(2-bromo-4-fluorophenyl)-1-(4-ethylmorpholin-2-yl)ethanone?
2-(2-bromo-4-fluorophenyl)-1-(4-ethylmorpholin-2-yl)ethanone has a molecular weight of 330.20 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenyl)-1-(4-ethylmorpholin-2-yl)ethanone is sourced from PubChem (CID 79667003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).