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

C15H19Cl2NO4 — CID 56749922

IUPAC1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-2-(2-methoxyethoxy)ethanone
SMILESCOCCOCC(=O)N1CCOC(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C15H19Cl2NO4/c1-20-6-7-21-10-15(19)18-4-5-22-14(9-18)11-2-3-12(16)13(17)8-11/h2-3,8,14H,4-7,9-10H2,1H3
InChIKeyQSWQTLHCVIPQAJ-UHFFFAOYSA-N
MW348.23 g/mol
LogP2.56
Rot. Bonds6

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

1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-2-(2-methoxyethoxy)ethanone (PubChem CID 56749922) has the molecular formula C15H19Cl2NO4 and a molecular weight of 348.23 g/mol. Its IUPAC name is 1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-2-(2-methoxyethoxy)ethanone.

Molecular Properties

Compound Name1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-2-(2-methoxyethoxy)ethanone
PubChem CID56749922
Molecular FormulaC15H19Cl2NO4
Molecular Weight348.23 g/mol
Exact Mass347.07
IUPAC Name1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-2-(2-methoxyethoxy)ethanone
SMILESCOCCOCC(=O)N1CCOC(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C15H19Cl2NO4/c1-20-6-7-21-10-15(19)18-4-5-22-14(9-18)11-2-3-12(16)13(17)8-11/h2-3,8,14H,4-7,9-10H2,1H3
InChIKeyQSWQTLHCVIPQAJ-UHFFFAOYSA-N
XLogP2.56
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.23
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-2-(2-methoxyethylamino)ethanone
CID 119769922
2-amino-1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-3-methoxypropan-1-one
CID 120988781
4-amino-1-[2-(3,4-dichlorophenyl)morpholin-4-yl]pentan-1-one
CID 120562102
2-(3,4-dichlorophenyl)-N-propylmorpholine-4-carboxamide
CID 110364326
1-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]-3-pyridin-4-ylpropan-1-one
CID 95180794
1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-2-thiophen-2-ylethanone
CID 110364311
3-methoxy-1-[(2S)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]propan-1-one
CID 124943373
1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-3-pyrazol-1-ylpropan-1-one
CID 56743980
2-(2-phenoxyethoxy)-1-[(2S)-2-phenylmorpholin-4-yl]ethanone
CID 97015199
[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-(1H-pyrrol-2-yl)methanone
CID 95174642
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-(2-methoxyethylamino)ethanone
CID 79270314
1-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]-3-imidazol-1-ylpropan-1-one
CID 95174623

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-2-(2-methoxyethoxy)ethanone?
The IUPAC name of 1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-2-(2-methoxyethoxy)ethanone (CID 56749922) is 1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-2-(2-methoxyethoxy)ethanone.
What is the SMILES notation for 1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-2-(2-methoxyethoxy)ethanone?
The canonical SMILES for 1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-2-(2-methoxyethoxy)ethanone is COCCOCC(=O)N1CCOC(c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-2-(2-methoxyethoxy)ethanone?
The InChIKey is QSWQTLHCVIPQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO4/c1-20-6-7-21-10-15(19)18-4-5-22-14(9-18)11-2-3-12(16)13(17)8-11/h2-3,8,14H,4-7,9-10H2,1H3.
What are the key properties of 1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-2-(2-methoxyethoxy)ethanone?
1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-2-(2-methoxyethoxy)ethanone has a molecular weight of 348.23 g/mol, XLogP of 2.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-2-(2-methoxyethoxy)ethanone is sourced from PubChem (CID 56749922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).