2-(3-chlorophenyl)-1-(4-propylmorpholin-2-yl)ethanone

C15H20ClNO2 — CID 79668783

IUPAC2-(3-chlorophenyl)-1-(4-propylmorpholin-2-yl)ethanone
SMILESCCCN1CCOC(C(=O)Cc2cccc(Cl)c2)C1
InChIInChI=1S/C15H20ClNO2/c1-2-6-17-7-8-19-15(11-17)14(18)10-12-4-3-5-13(16)9-12/h3-5,9,15H,2,6-8,10-11H2,1H3
InChIKeyADYQCIUMYPXGJL-UHFFFAOYSA-N
MW281.78 g/mol
LogP2.56
Rot. Bonds5

About 2-(3-chlorophenyl)-1-(4-propylmorpholin-2-yl)ethanone

2-(3-chlorophenyl)-1-(4-propylmorpholin-2-yl)ethanone (PubChem CID 79668783) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-(4-propylmorpholin-2-yl)ethanone.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-(4-propylmorpholin-2-yl)ethanone
PubChem CID79668783
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name2-(3-chlorophenyl)-1-(4-propylmorpholin-2-yl)ethanone
SMILESCCCN1CCOC(C(=O)Cc2cccc(Cl)c2)C1
InChIInChI=1S/C15H20ClNO2/c1-2-6-17-7-8-19-15(11-17)14(18)10-12-4-3-5-13(16)9-12/h3-5,9,15H,2,6-8,10-11H2,1H3
InChIKeyADYQCIUMYPXGJL-UHFFFAOYSA-N
XLogP2.56
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenyl)-1-(4-propylmorpholin-2-yl)ethanone
CID 79669537
2-(3,4-dichlorophenyl)-1-(4-propylmorpholin-2-yl)ethanone
CID 79669702
2-(3-chlorophenyl)-1-(4-methylmorpholin-2-yl)ethanone
CID 79077716
2-(3,5-dimethylphenyl)-1-(4-propylmorpholin-2-yl)ethanone
CID 79668855
1-(4-propylmorpholin-2-yl)-2-pyridin-4-ylethanone
CID 79669232
2-(2-bromo-5-fluorophenyl)-1-(4-propylmorpholin-2-yl)ethanone
CID 79668927
2-(3-chlorophenyl)-1-morpholin-2-ylethanone
CID 116561676
2-(3-bromothiophen-2-yl)-1-(4-propylmorpholin-2-yl)ethanone
CID 79668781
2-(5-bromo-2-methoxyphenyl)-1-(4-propylmorpholin-2-yl)ethanone
CID 79663279
1-(4-ethylmorpholin-2-yl)-2-(4-methylphenyl)ethanone
CID 79666250
2-(4-chlorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone
CID 79664016
1-(4-ethylmorpholin-2-yl)-2-(1-methylpyrazol-4-yl)ethanone
CID 79666582

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-(4-propylmorpholin-2-yl)ethanone?
The IUPAC name of 2-(3-chlorophenyl)-1-(4-propylmorpholin-2-yl)ethanone (CID 79668783) is 2-(3-chlorophenyl)-1-(4-propylmorpholin-2-yl)ethanone.
What is the SMILES notation for 2-(3-chlorophenyl)-1-(4-propylmorpholin-2-yl)ethanone?
The canonical SMILES for 2-(3-chlorophenyl)-1-(4-propylmorpholin-2-yl)ethanone is CCCN1CCOC(C(=O)Cc2cccc(Cl)c2)C1.
What is the InChIKey of 2-(3-chlorophenyl)-1-(4-propylmorpholin-2-yl)ethanone?
The InChIKey is ADYQCIUMYPXGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-2-6-17-7-8-19-15(11-17)14(18)10-12-4-3-5-13(16)9-12/h3-5,9,15H,2,6-8,10-11H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-1-(4-propylmorpholin-2-yl)ethanone?
2-(3-chlorophenyl)-1-(4-propylmorpholin-2-yl)ethanone has a molecular weight of 281.78 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-(4-propylmorpholin-2-yl)ethanone is sourced from PubChem (CID 79668783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).