2-(3,4-dichlorophenyl)-1-(4-propylmorpholin-2-yl)ethanone

C15H19Cl2NO2 — CID 79669702

IUPAC2-(3,4-dichlorophenyl)-1-(4-propylmorpholin-2-yl)ethanone
SMILESCCCN1CCOC(C(=O)Cc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C15H19Cl2NO2/c1-2-5-18-6-7-20-15(10-18)14(19)9-11-3-4-12(16)13(17)8-11/h3-4,8,15H,2,5-7,9-10H2,1H3
InChIKeyAWNMQWMETNWJJI-UHFFFAOYSA-N
MW316.23 g/mol
LogP3.22
Rot. Bonds5

About 2-(3,4-dichlorophenyl)-1-(4-propylmorpholin-2-yl)ethanone

2-(3,4-dichlorophenyl)-1-(4-propylmorpholin-2-yl)ethanone (PubChem CID 79669702) has the molecular formula C15H19Cl2NO2 and a molecular weight of 316.23 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-1-(4-propylmorpholin-2-yl)ethanone.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-1-(4-propylmorpholin-2-yl)ethanone
PubChem CID79669702
Molecular FormulaC15H19Cl2NO2
Molecular Weight316.23 g/mol
Exact Mass315.08
IUPAC Name2-(3,4-dichlorophenyl)-1-(4-propylmorpholin-2-yl)ethanone
SMILESCCCN1CCOC(C(=O)Cc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C15H19Cl2NO2/c1-2-5-18-6-7-20-15(10-18)14(19)9-11-3-4-12(16)13(17)8-11/h3-4,8,15H,2,5-7,9-10H2,1H3
InChIKeyAWNMQWMETNWJJI-UHFFFAOYSA-N
XLogP3.22
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-1-(4-propylmorpholin-2-yl)ethanone
CID 79668783
1-(4-propylmorpholin-2-yl)-2-pyridin-4-ylethanone
CID 79669232
2-(3,5-dimethylphenyl)-1-(4-propylmorpholin-2-yl)ethanone
CID 79668855
2-(3-fluorophenyl)-1-(4-propylmorpholin-2-yl)ethanone
CID 79669537
1-(4-ethylmorpholin-2-yl)-2-(4-methylphenyl)ethanone
CID 79666250
2-(2-bromo-5-fluorophenyl)-1-(4-propylmorpholin-2-yl)ethanone
CID 79668927
methyl 4-[(3,4-dichlorophenyl)methyl]morpholine-2-carboxylate
CID 78926417
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-(1-methylpyrazol-4-yl)ethanone
CID 79666582
2-(2-chloro-4-methylphenyl)-1-(4-ethylmorpholin-2-yl)ethanone
CID 106867039
2-(3,4-dichlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)ethanone
CID 79658392

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-1-(4-propylmorpholin-2-yl)ethanone?
The IUPAC name of 2-(3,4-dichlorophenyl)-1-(4-propylmorpholin-2-yl)ethanone (CID 79669702) is 2-(3,4-dichlorophenyl)-1-(4-propylmorpholin-2-yl)ethanone.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-1-(4-propylmorpholin-2-yl)ethanone?
The canonical SMILES for 2-(3,4-dichlorophenyl)-1-(4-propylmorpholin-2-yl)ethanone is CCCN1CCOC(C(=O)Cc2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-1-(4-propylmorpholin-2-yl)ethanone?
The InChIKey is AWNMQWMETNWJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO2/c1-2-5-18-6-7-20-15(10-18)14(19)9-11-3-4-12(16)13(17)8-11/h3-4,8,15H,2,5-7,9-10H2,1H3.
What are the key properties of 2-(3,4-dichlorophenyl)-1-(4-propylmorpholin-2-yl)ethanone?
2-(3,4-dichlorophenyl)-1-(4-propylmorpholin-2-yl)ethanone has a molecular weight of 316.23 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-1-(4-propylmorpholin-2-yl)ethanone is sourced from PubChem (CID 79669702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).