1-[2-(3,5-dichlorophenyl)morpholin-4-yl]-2-(4-ethoxyphenyl)ethanone

C20H21Cl2NO3 — CID 121134501

IUPAC1-[2-(3,5-dichlorophenyl)morpholin-4-yl]-2-(4-ethoxyphenyl)ethanone
SMILESCCOc1ccc(CC(=O)N2CCOC(c3cc(Cl)cc(Cl)c3)C2)cc1
InChIInChI=1S/C20H21Cl2NO3/c1-2-25-18-5-3-14(4-6-18)9-20(24)23-7-8-26-19(13-23)15-10-16(21)12-17(22)11-15/h3-6,10-12,19H,2,7-9,13H2,1H3
InChIKeyWJKVPBSOVYDDNA-UHFFFAOYSA-N
MW394.30 g/mol
LogP4.53
Rot. Bonds5

About 1-[2-(3,5-dichlorophenyl)morpholin-4-yl]-2-(4-ethoxyphenyl)ethanone

1-[2-(3,5-dichlorophenyl)morpholin-4-yl]-2-(4-ethoxyphenyl)ethanone (PubChem CID 121134501) has the molecular formula C20H21Cl2NO3 and a molecular weight of 394.30 g/mol. Its IUPAC name is 1-[2-(3,5-dichlorophenyl)morpholin-4-yl]-2-(4-ethoxyphenyl)ethanone.

Molecular Properties

Compound Name1-[2-(3,5-dichlorophenyl)morpholin-4-yl]-2-(4-ethoxyphenyl)ethanone
PubChem CID121134501
Molecular FormulaC20H21Cl2NO3
Molecular Weight394.30 g/mol
Exact Mass393.09
IUPAC Name1-[2-(3,5-dichlorophenyl)morpholin-4-yl]-2-(4-ethoxyphenyl)ethanone
SMILESCCOc1ccc(CC(=O)N2CCOC(c3cc(Cl)cc(Cl)c3)C2)cc1
InChIInChI=1S/C20H21Cl2NO3/c1-2-25-18-5-3-14(4-6-18)9-20(24)23-7-8-26-19(13-23)15-10-16(21)12-17(22)11-15/h3-6,10-12,19H,2,7-9,13H2,1H3
InChIKeyWJKVPBSOVYDDNA-UHFFFAOYSA-N
XLogP4.53
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.30
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethoxyphenyl)-1-[2-(2-methylphenyl)morpholin-4-yl]ethanone
CID 110364487
1-[2-(3-chlorophenyl)morpholin-4-yl]-2-(4-fluorophenyl)ethanone
CID 110326972
2-(4-methoxyphenyl)-1-[2-(4-propan-2-ylphenyl)morpholin-4-yl]ethanone
CID 110364120
2-(4-fluorophenyl)-1-[2-(4-methoxyphenyl)morpholin-4-yl]ethanone
CID 110327189
1-[3-(4-chlorophenyl)azepan-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 121146543
2-(4-ethoxyphenyl)-1-(1,3-oxazolidin-3-yl)ethanone
CID 110746558
2-(4-hydroxyphenyl)-1-[(2R)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]ethanone
CID 95545231
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-(4-propoxyphenoxy)ethanone
CID 60552824
1-[2-(4-ethylphenyl)morpholin-4-yl]-2-(4-fluorophenyl)ethanone
CID 110364011
1-[2-(3,5-dichlorophenyl)morpholin-4-yl]-4-phenylbutan-1-one
CID 121134473
1-[(2S)-2-(3,5-dichlorophenyl)morpholin-4-yl]-2-(2-fluorophenoxy)ethanone
CID 97106593
1-[4-[2-(4-ethoxyphenyl)acetyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55471046

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dichlorophenyl)morpholin-4-yl]-2-(4-ethoxyphenyl)ethanone?
The IUPAC name of 1-[2-(3,5-dichlorophenyl)morpholin-4-yl]-2-(4-ethoxyphenyl)ethanone (CID 121134501) is 1-[2-(3,5-dichlorophenyl)morpholin-4-yl]-2-(4-ethoxyphenyl)ethanone.
What is the SMILES notation for 1-[2-(3,5-dichlorophenyl)morpholin-4-yl]-2-(4-ethoxyphenyl)ethanone?
The canonical SMILES for 1-[2-(3,5-dichlorophenyl)morpholin-4-yl]-2-(4-ethoxyphenyl)ethanone is CCOc1ccc(CC(=O)N2CCOC(c3cc(Cl)cc(Cl)c3)C2)cc1.
What is the InChIKey of 1-[2-(3,5-dichlorophenyl)morpholin-4-yl]-2-(4-ethoxyphenyl)ethanone?
The InChIKey is WJKVPBSOVYDDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2NO3/c1-2-25-18-5-3-14(4-6-18)9-20(24)23-7-8-26-19(13-23)15-10-16(21)12-17(22)11-15/h3-6,10-12,19H,2,7-9,13H2,1H3.
What are the key properties of 1-[2-(3,5-dichlorophenyl)morpholin-4-yl]-2-(4-ethoxyphenyl)ethanone?
1-[2-(3,5-dichlorophenyl)morpholin-4-yl]-2-(4-ethoxyphenyl)ethanone has a molecular weight of 394.30 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dichlorophenyl)morpholin-4-yl]-2-(4-ethoxyphenyl)ethanone is sourced from PubChem (CID 121134501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).