1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-2-(2-methoxyethylamino)ethanone

C15H19Cl2FN2O3 — CID 119777428

IUPAC1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-2-(2-methoxyethylamino)ethanone
SMILESCOCCNCC(=O)N1CCOC(c2cc(F)c(Cl)cc2Cl)C1
InChIInChI=1S/C15H19Cl2FN2O3/c1-22-4-2-19-8-15(21)20-3-5-23-14(9-20)10-6-13(18)12(17)7-11(10)16/h6-7,14,19H,2-5,8-9H2,1H3
InChIKeyYUEGCDHJBZHTDW-UHFFFAOYSA-N
MW365.23 g/mol
LogP2.27
Rot. Bonds6

About 1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-2-(2-methoxyethylamino)ethanone

1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-2-(2-methoxyethylamino)ethanone (PubChem CID 119777428) has the molecular formula C15H19Cl2FN2O3 and a molecular weight of 365.23 g/mol. Its IUPAC name is 1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-2-(2-methoxyethylamino)ethanone.

Molecular Properties

Compound Name1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-2-(2-methoxyethylamino)ethanone
PubChem CID119777428
Molecular FormulaC15H19Cl2FN2O3
Molecular Weight365.23 g/mol
Exact Mass364.08
IUPAC Name1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-2-(2-methoxyethylamino)ethanone
SMILESCOCCNCC(=O)N1CCOC(c2cc(F)c(Cl)cc2Cl)C1
InChIInChI=1S/C15H19Cl2FN2O3/c1-22-4-2-19-8-15(21)20-3-5-23-14(9-20)10-6-13(18)12(17)7-11(10)16/h6-7,14,19H,2-5,8-9H2,1H3
InChIKeyYUEGCDHJBZHTDW-UHFFFAOYSA-N
XLogP2.27
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.23
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-2-(methylamino)ethanone;hydrochloride
CID 119777407
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-(2-methoxyethylamino)ethanone
CID 79270314
2-amino-1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-3-methoxypropan-1-one;hydrochloride
CID 120989276
1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-2-(2-methoxyethylamino)ethanone
CID 119769922
3-amino-1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]butan-1-one;hydrochloride
CID 119777421
1-[2-(3-bromophenyl)morpholin-4-yl]-2-(2-methoxyethylamino)ethanone
CID 119757105
2-(2-methoxyethylamino)-1-(2-thiophen-2-ylmorpholin-4-yl)ethanone;hydrochloride
CID 119757336
2-(4-aminophenyl)-1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]ethanone
CID 119777400
(4-chlorophenyl)-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]methanone
CID 155946524
[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-(4-methoxypiperidin-4-yl)methanone;hydrochloride
CID 119777417
2-amino-1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-2-(oxan-4-yl)ethanone
CID 120792454
[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone
CID 120931507

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-2-(2-methoxyethylamino)ethanone?
The IUPAC name of 1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-2-(2-methoxyethylamino)ethanone (CID 119777428) is 1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-2-(2-methoxyethylamino)ethanone.
What is the SMILES notation for 1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-2-(2-methoxyethylamino)ethanone?
The canonical SMILES for 1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-2-(2-methoxyethylamino)ethanone is COCCNCC(=O)N1CCOC(c2cc(F)c(Cl)cc2Cl)C1.
What is the InChIKey of 1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-2-(2-methoxyethylamino)ethanone?
The InChIKey is YUEGCDHJBZHTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2FN2O3/c1-22-4-2-19-8-15(21)20-3-5-23-14(9-20)10-6-13(18)12(17)7-11(10)16/h6-7,14,19H,2-5,8-9H2,1H3.
What are the key properties of 1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-2-(2-methoxyethylamino)ethanone?
1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-2-(2-methoxyethylamino)ethanone has a molecular weight of 365.23 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-2-(2-methoxyethylamino)ethanone is sourced from PubChem (CID 119777428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).