2-[(3,4-dichlorophenyl)methylideneamino]oxy-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanone

C15H18Cl2N2O3 — CID 129431700

IUPAC2-[(3,4-dichlorophenyl)methylideneamino]oxy-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanone
SMILESC[C@@H]1CN(C(=O)CON=Cc2ccc(Cl)c(Cl)c2)C[C@@H](C)O1
InChIInChI=1S/C15H18Cl2N2O3/c1-10-7-19(8-11(2)22-10)15(20)9-21-18-6-12-3-4-13(16)14(17)5-12/h3-6,10-11H,7-9H2,1-2H3/t10-,11-/m1/s1
InChIKeyLSMKVBMNINCJND-GHMZBOCLSA-N
MW345.23 g/mol
LogP2.98
Rot. Bonds4

About 2-[(3,4-dichlorophenyl)methylideneamino]oxy-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanone

2-[(3,4-dichlorophenyl)methylideneamino]oxy-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanone (PubChem CID 129431700) has the molecular formula C15H18Cl2N2O3 and a molecular weight of 345.23 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenyl)methylideneamino]oxy-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-[(3,4-dichlorophenyl)methylideneamino]oxy-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanone
PubChem CID129431700
Molecular FormulaC15H18Cl2N2O3
Molecular Weight345.23 g/mol
Exact Mass344.07
IUPAC Name2-[(3,4-dichlorophenyl)methylideneamino]oxy-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanone
SMILESC[C@@H]1CN(C(=O)CON=Cc2ccc(Cl)c(Cl)c2)C[C@@H](C)O1
InChIInChI=1S/C15H18Cl2N2O3/c1-10-7-19(8-11(2)22-10)15(20)9-21-18-6-12-3-4-13(16)14(17)5-12/h3-6,10-11H,7-9H2,1-2H3/t10-,11-/m1/s1
InChIKeyLSMKVBMNINCJND-GHMZBOCLSA-N
XLogP2.98
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.23
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(3,4-dichlorophenyl)methylideneamino]oxy-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanone with MolForge

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Related Compounds

tert-butyl 2-[(E)-(3,4-dichlorophenyl)methylideneamino]oxyacetate
CID 23519151
2-(2-chlorophenoxy)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethanone
CID 973581
(3,4-dichlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 3339174
(3,4-dichlorophenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 7724523
(3,4-dichlorophenyl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 7722716
[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-chloro-4-fluorobenzoate
CID 2346530
1-(3,5-dimethylpiperidin-1-yl)-2-[(E)-(3-fluorophenyl)methylideneamino]oxyethanone
CID 86932515
[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] (E)-3-(2,4-dichlorophenyl)prop-2-enoate
CID 7874122
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2,6-dichlorobenzoate
CID 3545684
2-(2-bromo-4-chlorophenoxy)-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 2961166
[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate
CID 2345805
(2S,6S)-N-(3,4-dichlorophenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 726111

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorophenyl)methylideneamino]oxy-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanone?
The IUPAC name of 2-[(3,4-dichlorophenyl)methylideneamino]oxy-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanone (CID 129431700) is 2-[(3,4-dichlorophenyl)methylideneamino]oxy-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanone.
What is the SMILES notation for 2-[(3,4-dichlorophenyl)methylideneamino]oxy-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanone?
The canonical SMILES for 2-[(3,4-dichlorophenyl)methylideneamino]oxy-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanone is C[C@@H]1CN(C(=O)CON=Cc2ccc(Cl)c(Cl)c2)C[C@@H](C)O1.
What is the InChIKey of 2-[(3,4-dichlorophenyl)methylideneamino]oxy-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanone?
The InChIKey is LSMKVBMNINCJND-GHMZBOCLSA-N. The full InChI is InChI=1S/C15H18Cl2N2O3/c1-10-7-19(8-11(2)22-10)15(20)9-21-18-6-12-3-4-13(16)14(17)5-12/h3-6,10-11H,7-9H2,1-2H3/t10-,11-/m1/s1.
What are the key properties of 2-[(3,4-dichlorophenyl)methylideneamino]oxy-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanone?
2-[(3,4-dichlorophenyl)methylideneamino]oxy-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanone has a molecular weight of 345.23 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichlorophenyl)methylideneamino]oxy-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanone is sourced from PubChem (CID 129431700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).