3-amino-1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]butan-1-one;hydrochloride

C14H18Cl3FN2O2 — CID 119777421

IUPAC3-amino-1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]butan-1-one;hydrochloride
SMILESCC(N)CC(=O)N1CCOC(c2cc(F)c(Cl)cc2Cl)C1.Cl
InChIInChI=1S/C14H17Cl2FN2O2.ClH/c1-8(18)4-14(20)19-2-3-21-13(7-19)9-5-12(17)11(16)6-10(9)15;/h5-6,8,13H,2-4,7,18H2,1H3;1H
InChIKeyAJPLJTRUDSUGSE-UHFFFAOYSA-N
MW371.67 g/mol
LogP3.19
Rot. Bonds3

About 3-amino-1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]butan-1-one;hydrochloride

3-amino-1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]butan-1-one;hydrochloride (PubChem CID 119777421) has the molecular formula C14H18Cl3FN2O2 and a molecular weight of 371.67 g/mol. Its IUPAC name is 3-amino-1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]butan-1-one;hydrochloride.

Molecular Properties

Compound Name3-amino-1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]butan-1-one;hydrochloride
PubChem CID119777421
Molecular FormulaC14H18Cl3FN2O2
Molecular Weight371.67 g/mol
Exact Mass370.04
IUPAC Name3-amino-1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]butan-1-one;hydrochloride
SMILESCC(N)CC(=O)N1CCOC(c2cc(F)c(Cl)cc2Cl)C1.Cl
InChIInChI=1S/C14H17Cl2FN2O2.ClH/c1-8(18)4-14(20)19-2-3-21-13(7-19)9-5-12(17)11(16)6-10(9)15;/h5-6,8,13H,2-4,7,18H2,1H3;1H
InChIKeyAJPLJTRUDSUGSE-UHFFFAOYSA-N
XLogP3.19
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.67
LogP ≤ 53.19
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

1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-2-(methylamino)ethanone;hydrochloride
CID 119777407
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
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]-2-(oxan-4-yl)ethanone
CID 120792454
(2R)-2-[(2S)-2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]propanamide
CID 99103788
(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-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-(4-methoxypiperidin-4-yl)methanone;hydrochloride
CID 119777417
3-amino-1-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]propan-1-one;hydrochloride
CID 119315236
2-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]ethanol;hydrochloride
CID 141261156
1-[2-(2-fluorophenyl)morpholin-4-yl]-3-phenylbutan-1-one
CID 110609357

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]butan-1-one;hydrochloride?
The IUPAC name of 3-amino-1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]butan-1-one;hydrochloride (CID 119777421) is 3-amino-1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]butan-1-one;hydrochloride.
What is the SMILES notation for 3-amino-1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]butan-1-one;hydrochloride?
The canonical SMILES for 3-amino-1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]butan-1-one;hydrochloride is CC(N)CC(=O)N1CCOC(c2cc(F)c(Cl)cc2Cl)C1.Cl.
What is the InChIKey of 3-amino-1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]butan-1-one;hydrochloride?
The InChIKey is AJPLJTRUDSUGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2FN2O2.ClH/c1-8(18)4-14(20)19-2-3-21-13(7-19)9-5-12(17)11(16)6-10(9)15;/h5-6,8,13H,2-4,7,18H2,1H3;1H.
What are the key properties of 3-amino-1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]butan-1-one;hydrochloride?
3-amino-1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]butan-1-one;hydrochloride has a molecular weight of 371.67 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]butan-1-one;hydrochloride is sourced from PubChem (CID 119777421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).