1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-2-(methylamino)ethanone;hydrochloride

C13H16Cl3FN2O2 — CID 119777407

IUPAC1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-2-(methylamino)ethanone;hydrochloride
SMILESCNCC(=O)N1CCOC(c2cc(F)c(Cl)cc2Cl)C1.Cl
InChIInChI=1S/C13H15Cl2FN2O2.ClH/c1-17-6-13(19)18-2-3-20-12(7-18)8-4-11(16)10(15)5-9(8)14;/h4-5,12,17H,2-3,6-7H2,1H3;1H
InChIKeyIKXFNIDACAOJSY-UHFFFAOYSA-N
MW357.64 g/mol
LogP2.67
Rot. Bonds3

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

1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-2-(methylamino)ethanone;hydrochloride (PubChem CID 119777407) has the molecular formula C13H16Cl3FN2O2 and a molecular weight of 357.64 g/mol. Its IUPAC name is 1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-2-(methylamino)ethanone;hydrochloride.

Molecular Properties

Compound Name1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-2-(methylamino)ethanone;hydrochloride
PubChem CID119777407
Molecular FormulaC13H16Cl3FN2O2
Molecular Weight357.64 g/mol
Exact Mass356.03
IUPAC Name1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-2-(methylamino)ethanone;hydrochloride
SMILESCNCC(=O)N1CCOC(c2cc(F)c(Cl)cc2Cl)C1.Cl
InChIInChI=1S/C13H15Cl2FN2O2.ClH/c1-17-6-13(19)18-2-3-20-12(7-18)8-4-11(16)10(15)5-9(8)14;/h4-5,12,17H,2-3,6-7H2,1H3;1H
InChIKeyIKXFNIDACAOJSY-UHFFFAOYSA-N
XLogP2.67
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.64
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]butan-1-one;hydrochloride
CID 119777421
1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-2-(2-methoxyethylamino)ethanone
CID 119777428
2-amino-1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-3-methoxypropan-1-one;hydrochloride
CID 120989276
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]-[(2R,3S)-2-methylmorpholin-3-yl]methanone
CID 120931507
2-amino-1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-2-(oxan-4-yl)ethanone
CID 120792454
(2R)-2-[(2S)-2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]propanamide
CID 99103788
[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-(4-methoxypiperidin-4-yl)methanone;hydrochloride
CID 119777417
2-(methylamino)-1-(2-thiophen-2-ylmorpholin-4-yl)ethanone;hydrochloride
CID 119757306
2-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]ethanol;hydrochloride
CID 141261156
4-[(2R)-2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]butan-1-ol
CID 95339618

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-2-(methylamino)ethanone;hydrochloride?
The IUPAC name of 1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-2-(methylamino)ethanone;hydrochloride (CID 119777407) is 1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-2-(methylamino)ethanone;hydrochloride.
What is the SMILES notation for 1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-2-(methylamino)ethanone;hydrochloride?
The canonical SMILES for 1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-2-(methylamino)ethanone;hydrochloride is CNCC(=O)N1CCOC(c2cc(F)c(Cl)cc2Cl)C1.Cl.
What is the InChIKey of 1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-2-(methylamino)ethanone;hydrochloride?
The InChIKey is IKXFNIDACAOJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2FN2O2.ClH/c1-17-6-13(19)18-2-3-20-12(7-18)8-4-11(16)10(15)5-9(8)14;/h4-5,12,17H,2-3,6-7H2,1H3;1H.
What are the key properties of 1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-2-(methylamino)ethanone;hydrochloride?
1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-2-(methylamino)ethanone;hydrochloride has a molecular weight of 357.64 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-2-(methylamino)ethanone;hydrochloride is sourced from PubChem (CID 119777407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).