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

C15H20Cl2N2O3 — CID 119769922

IUPAC1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-2-(2-methoxyethylamino)ethanone
SMILESCOCCNCC(=O)N1CCOC(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C15H20Cl2N2O3/c1-21-6-4-18-9-15(20)19-5-7-22-14(10-19)11-2-3-12(16)13(17)8-11/h2-3,8,14,18H,4-7,9-10H2,1H3
InChIKeyQDBLOEZOUNTKHM-UHFFFAOYSA-N
MW347.24 g/mol
LogP2.13
Rot. Bonds6

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

1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-2-(2-methoxyethylamino)ethanone (PubChem CID 119769922) has the molecular formula C15H20Cl2N2O3 and a molecular weight of 347.24 g/mol. Its IUPAC name is 1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-2-(2-methoxyethylamino)ethanone.

Molecular Properties

Compound Name1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-2-(2-methoxyethylamino)ethanone
PubChem CID119769922
Molecular FormulaC15H20Cl2N2O3
Molecular Weight347.24 g/mol
Exact Mass346.09
IUPAC Name1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-2-(2-methoxyethylamino)ethanone
SMILESCOCCNCC(=O)N1CCOC(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C15H20Cl2N2O3/c1-21-6-4-18-9-15(20)19-5-7-22-14(10-19)11-2-3-12(16)13(17)8-11/h2-3,8,14,18H,4-7,9-10H2,1H3
InChIKeyQDBLOEZOUNTKHM-UHFFFAOYSA-N
XLogP2.13
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.24
LogP ≤ 52.13
H-Bond Donors ≤ 51
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-(4-chlorophenyl)morpholin-4-yl]-2-(2-methoxyethylamino)ethanone
CID 79270314
1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-2-(2-methoxyethoxy)ethanone
CID 56749922
1-[2-(3-bromophenyl)morpholin-4-yl]-2-(2-methoxyethylamino)ethanone
CID 119757105
1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-2-(2-methoxyethylamino)ethanone
CID 119777428
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-(2-methoxyethylamino)-1-(2-thiophen-2-ylmorpholin-4-yl)ethanone;hydrochloride
CID 119757336
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
4-[[2-(3,4-dichlorophenyl)morpholine-4-carbonyl]amino]butanoic acid
CID 122021290
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

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-2-(2-methoxyethylamino)ethanone?
The IUPAC name of 1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-2-(2-methoxyethylamino)ethanone (CID 119769922) is 1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-2-(2-methoxyethylamino)ethanone.
What is the SMILES notation for 1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-2-(2-methoxyethylamino)ethanone?
The canonical SMILES for 1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-2-(2-methoxyethylamino)ethanone is COCCNCC(=O)N1CCOC(c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-2-(2-methoxyethylamino)ethanone?
The InChIKey is QDBLOEZOUNTKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O3/c1-21-6-4-18-9-15(20)19-5-7-22-14(10-19)11-2-3-12(16)13(17)8-11/h2-3,8,14,18H,4-7,9-10H2,1H3.
What are the key properties of 1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-2-(2-methoxyethylamino)ethanone?
1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-2-(2-methoxyethylamino)ethanone has a molecular weight of 347.24 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 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-methoxyethylamino)ethanone is sourced from PubChem (CID 119769922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).