[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 2,4-dichlorobenzoate

C16H19Cl2NO4 — CID 55319792

IUPAC[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 2,4-dichlorobenzoate
SMILESCC1CN(C(=O)C(C)OC(=O)c2ccc(Cl)cc2Cl)CC(C)O1
InChIInChI=1S/C16H19Cl2NO4/c1-9-7-19(8-10(2)22-9)15(20)11(3)23-16(21)13-5-4-12(17)6-14(13)18/h4-6,9-11H,7-8H2,1-3H3
InChIKeyVPQPMRXKBLSBMT-UHFFFAOYSA-N
MW360.24 g/mol
LogP3.17
Rot. Bonds3

About [1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 2,4-dichlorobenzoate

[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 2,4-dichlorobenzoate (PubChem CID 55319792) has the molecular formula C16H19Cl2NO4 and a molecular weight of 360.24 g/mol. Its IUPAC name is [1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 2,4-dichlorobenzoate.

Molecular Properties

Compound Name[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 2,4-dichlorobenzoate
PubChem CID55319792
Molecular FormulaC16H19Cl2NO4
Molecular Weight360.24 g/mol
Exact Mass359.07
IUPAC Name[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 2,4-dichlorobenzoate
SMILESCC1CN(C(=O)C(C)OC(=O)c2ccc(Cl)cc2Cl)CC(C)O1
InChIInChI=1S/C16H19Cl2NO4/c1-9-7-19(8-10(2)22-9)15(20)11(3)23-16(21)13-5-4-12(17)6-14(13)18/h4-6,9-11H,7-8H2,1-3H3
InChIKeyVPQPMRXKBLSBMT-UHFFFAOYSA-N
XLogP3.17
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.24
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(2,4-dichlorophenoxy)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-1-one
CID 25405954
[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 2,4,5-trimethoxybenzoate
CID 55316324
(2S)-2-(4-chloro-2-methylphenoxy)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one
CID 7346685
2-(4-chloro-2-methylphenoxy)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
CID 2970851
[(2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl] 2,4-dichloro-5-[(4-fluorophenyl)sulfamoyl]benzoate
CID 98393834
[(2S)-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl] 2,4-dichloro-5-[(4-fluorophenyl)sulfamoyl]benzoate
CID 98938303
[(2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl] 4-(dimethylamino)-3-fluorobenzoate
CID 97024014
[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 2-bromo-5-sulfamoylbenzoate
CID 55322802
[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 4-bromobenzoate
CID 46790142
[(2S)-1-amino-1-oxopropan-2-yl] 2,4-dichlorobenzoate
CID 7508328
[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 2-(4-chloro-3-nitrobenzoyl)benzoate
CID 55313957
[(2S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl] 6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate
CID 98700469

Frequently Asked Questions

What is the IUPAC name of [1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 2,4-dichlorobenzoate?
The IUPAC name of [1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 2,4-dichlorobenzoate (CID 55319792) is [1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 2,4-dichlorobenzoate.
What is the SMILES notation for [1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 2,4-dichlorobenzoate?
The canonical SMILES for [1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 2,4-dichlorobenzoate is CC1CN(C(=O)C(C)OC(=O)c2ccc(Cl)cc2Cl)CC(C)O1.
What is the InChIKey of [1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 2,4-dichlorobenzoate?
The InChIKey is VPQPMRXKBLSBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2NO4/c1-9-7-19(8-10(2)22-9)15(20)11(3)23-16(21)13-5-4-12(17)6-14(13)18/h4-6,9-11H,7-8H2,1-3H3.
What are the key properties of [1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 2,4-dichlorobenzoate?
[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 2,4-dichlorobenzoate has a molecular weight of 360.24 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 2,4-dichlorobenzoate is sourced from PubChem (CID 55319792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).