2-(2-bromo-5-fluorophenyl)-1-(4-propylmorpholin-2-yl)ethanone

C15H19BrFNO2 — CID 79668927

IUPAC2-(2-bromo-5-fluorophenyl)-1-(4-propylmorpholin-2-yl)ethanone
SMILESCCCN1CCOC(C(=O)Cc2cc(F)ccc2Br)C1
InChIInChI=1S/C15H19BrFNO2/c1-2-5-18-6-7-20-15(10-18)14(19)9-11-8-12(17)3-4-13(11)16/h3-4,8,15H,2,5-7,9-10H2,1H3
InChIKeyJLYBOLRSAVRXEQ-UHFFFAOYSA-N
MW344.22 g/mol
LogP2.81
Rot. Bonds5

About 2-(2-bromo-5-fluorophenyl)-1-(4-propylmorpholin-2-yl)ethanone

2-(2-bromo-5-fluorophenyl)-1-(4-propylmorpholin-2-yl)ethanone (PubChem CID 79668927) has the molecular formula C15H19BrFNO2 and a molecular weight of 344.22 g/mol. Its IUPAC name is 2-(2-bromo-5-fluorophenyl)-1-(4-propylmorpholin-2-yl)ethanone.

Molecular Properties

Compound Name2-(2-bromo-5-fluorophenyl)-1-(4-propylmorpholin-2-yl)ethanone
PubChem CID79668927
Molecular FormulaC15H19BrFNO2
Molecular Weight344.22 g/mol
Exact Mass343.06
IUPAC Name2-(2-bromo-5-fluorophenyl)-1-(4-propylmorpholin-2-yl)ethanone
SMILESCCCN1CCOC(C(=O)Cc2cc(F)ccc2Br)C1
InChIInChI=1S/C15H19BrFNO2/c1-2-5-18-6-7-20-15(10-18)14(19)9-11-8-12(17)3-4-13(11)16/h3-4,8,15H,2,5-7,9-10H2,1H3
InChIKeyJLYBOLRSAVRXEQ-UHFFFAOYSA-N
XLogP2.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.22
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2-bromo-5-fluorophenyl)-1-(4-propylmorpholin-2-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

2-(2-bromo-4-fluorophenyl)-1-(4-ethylmorpholin-2-yl)ethanone
CID 79667003
2-(3-fluorophenyl)-1-(4-propylmorpholin-2-yl)ethanone
CID 79669537
2-(5-bromo-2-methoxyphenyl)-1-(4-propylmorpholin-2-yl)ethanone
CID 79663279
(2,4-difluorophenyl)-(4-propylmorpholin-2-yl)methanone
CID 79669007
2-(3-bromothiophen-2-yl)-1-(4-propylmorpholin-2-yl)ethanone
CID 79668781
1-(4-ethylmorpholin-2-yl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 114347306
methyl (2S)-4-[(2-bromo-5-fluorophenyl)methyl]morpholine-2-carboxylate
CID 95295840
2-(3,5-dimethylphenyl)-1-(4-propylmorpholin-2-yl)ethanone
CID 79668855
2-(3,4-dichlorophenyl)-1-(4-propylmorpholin-2-yl)ethanone
CID 79669702
1-(4-propylmorpholin-2-yl)-2-pyridin-4-ylethanone
CID 79669232
(5-bromo-2-fluorophenyl)-(4-propylmorpholin-2-yl)methanone
CID 79742554
2-(3-chlorophenyl)-1-(4-propylmorpholin-2-yl)ethanone
CID 79668783

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-fluorophenyl)-1-(4-propylmorpholin-2-yl)ethanone?
The IUPAC name of 2-(2-bromo-5-fluorophenyl)-1-(4-propylmorpholin-2-yl)ethanone (CID 79668927) is 2-(2-bromo-5-fluorophenyl)-1-(4-propylmorpholin-2-yl)ethanone.
What is the SMILES notation for 2-(2-bromo-5-fluorophenyl)-1-(4-propylmorpholin-2-yl)ethanone?
The canonical SMILES for 2-(2-bromo-5-fluorophenyl)-1-(4-propylmorpholin-2-yl)ethanone is CCCN1CCOC(C(=O)Cc2cc(F)ccc2Br)C1.
What is the InChIKey of 2-(2-bromo-5-fluorophenyl)-1-(4-propylmorpholin-2-yl)ethanone?
The InChIKey is JLYBOLRSAVRXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFNO2/c1-2-5-18-6-7-20-15(10-18)14(19)9-11-8-12(17)3-4-13(11)16/h3-4,8,15H,2,5-7,9-10H2,1H3.
What are the key properties of 2-(2-bromo-5-fluorophenyl)-1-(4-propylmorpholin-2-yl)ethanone?
2-(2-bromo-5-fluorophenyl)-1-(4-propylmorpholin-2-yl)ethanone has a molecular weight of 344.22 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-fluorophenyl)-1-(4-propylmorpholin-2-yl)ethanone is sourced from PubChem (CID 79668927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).