[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone

C16H19Cl2FN2O3 — CID 120931507

IUPAC[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone
SMILESC[C@H]1OCCN[C@@H]1C(=O)N1CCOC(c2cc(F)c(Cl)cc2Cl)C1
InChIInChI=1S/C16H19Cl2FN2O3/c1-9-15(20-2-4-23-9)16(22)21-3-5-24-14(8-21)10-6-13(19)12(18)7-11(10)17/h6-7,9,14-15,20H,2-5,8H2,1H3/t9-,14?,15+/m1/s1
InChIKeyMKRLJSIOBQCPIG-OHRKYMRTSA-N
MW377.24 g/mol
LogP2.41
Rot. Bonds2

About [2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone

[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone (PubChem CID 120931507) has the molecular formula C16H19Cl2FN2O3 and a molecular weight of 377.24 g/mol. Its IUPAC name is [2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone.

Molecular Properties

Compound Name[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone
PubChem CID120931507
Molecular FormulaC16H19Cl2FN2O3
Molecular Weight377.24 g/mol
Exact Mass376.08
IUPAC Name[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone
SMILESC[C@H]1OCCN[C@@H]1C(=O)N1CCOC(c2cc(F)c(Cl)cc2Cl)C1
InChIInChI=1S/C16H19Cl2FN2O3/c1-9-15(20-2-4-23-9)16(22)21-3-5-24-14(8-21)10-6-13(19)12(18)7-11(10)17/h6-7,9,14-15,20H,2-5,8H2,1H3/t9-,14?,15+/m1/s1
InChIKeyMKRLJSIOBQCPIG-OHRKYMRTSA-N
XLogP2.41
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.24
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(3,4-difluorophenyl)morpholin-4-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride
CID 120930572
(4-chlorophenyl)-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]methanone
CID 155946524
1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-2-(methylamino)ethanone;hydrochloride
CID 119777407
[(2R,3S)-2-methylmorpholin-3-yl]-[2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]methanone;hydrochloride
CID 120935931
[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-(4-methoxypiperidin-4-yl)methanone;hydrochloride
CID 119777417
3-amino-1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]butan-1-one;hydrochloride
CID 119777421
[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;dihydrochloride
CID 120938074
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
2-amino-1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-2-(oxan-4-yl)ethanone
CID 120792454
1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-2-(2-methoxyethylamino)ethanone
CID 119777428
(2R)-2-[(2S)-2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]propanamide
CID 99103788

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone?
The IUPAC name of [2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone (CID 120931507) is [2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone.
What is the SMILES notation for [2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone?
The canonical SMILES for [2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone is C[C@H]1OCCN[C@@H]1C(=O)N1CCOC(c2cc(F)c(Cl)cc2Cl)C1.
What is the InChIKey of [2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone?
The InChIKey is MKRLJSIOBQCPIG-OHRKYMRTSA-N. The full InChI is InChI=1S/C16H19Cl2FN2O3/c1-9-15(20-2-4-23-9)16(22)21-3-5-24-14(8-21)10-6-13(19)12(18)7-11(10)17/h6-7,9,14-15,20H,2-5,8H2,1H3/t9-,14?,15+/m1/s1.
What are the key properties of [2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone?
[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone has a molecular weight of 377.24 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone is sourced from PubChem (CID 120931507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).