(2-morpholin-4-yl-2-oxo-1-phenylethyl) 2,6-dichlorobenzoate

C19H17Cl2NO4 — CID 18198853

IUPAC(2-morpholin-4-yl-2-oxo-1-phenylethyl) 2,6-dichlorobenzoate
SMILESO=C(OC(C(=O)N1CCOCC1)c1ccccc1)c1c(Cl)cccc1Cl
InChIInChI=1S/C19H17Cl2NO4/c20-14-7-4-8-15(21)16(14)19(24)26-17(13-5-2-1-3-6-13)18(23)22-9-11-25-12-10-22/h1-8,17H,9-12H2
InChIKeyOXRACHYADBFIQT-UHFFFAOYSA-N
MW394.25 g/mol
LogP3.75
Rot. Bonds4

About (2-morpholin-4-yl-2-oxo-1-phenylethyl) 2,6-dichlorobenzoate

(2-morpholin-4-yl-2-oxo-1-phenylethyl) 2,6-dichlorobenzoate (PubChem CID 18198853) has the molecular formula C19H17Cl2NO4 and a molecular weight of 394.25 g/mol. Its IUPAC name is (2-morpholin-4-yl-2-oxo-1-phenylethyl) 2,6-dichlorobenzoate.

Molecular Properties

Compound Name(2-morpholin-4-yl-2-oxo-1-phenylethyl) 2,6-dichlorobenzoate
PubChem CID18198853
Molecular FormulaC19H17Cl2NO4
Molecular Weight394.25 g/mol
Exact Mass393.05
IUPAC Name(2-morpholin-4-yl-2-oxo-1-phenylethyl) 2,6-dichlorobenzoate
SMILESO=C(OC(C(=O)N1CCOCC1)c1ccccc1)c1c(Cl)cccc1Cl
InChIInChI=1S/C19H17Cl2NO4/c20-14-7-4-8-15(21)16(14)19(24)26-17(13-5-2-1-3-6-13)18(23)22-9-11-25-12-10-22/h1-8,17H,9-12H2
InChIKeyOXRACHYADBFIQT-UHFFFAOYSA-N
XLogP3.75
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.25
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-morpholin-4-yl-2-oxo-1-phenylethyl) 2-methyl-1H-indole-3-carboxylate
CID 24519167
[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 5-chloro-2,3-dihydro-1,4-benzodioxine-7-carboxylate
CID 8913702
(2-morpholin-4-yl-2-oxo-1-phenylethyl) thiophene-2-carboxylate
CID 17446175
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 7-chloro-1,3-benzodioxole-5-carboxylate
CID 51110254
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-methoxybenzoate
CID 18198778
(2R)-1-morpholin-4-yl-2-phenyl-2-(2,4,5-trichlorophenoxy)ethanone
CID 7701309
[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-methylsulfanylbenzoate
CID 8913443
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 5-acetylthiophene-2-carboxylate
CID 18123272
[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(4-chlorophenyl)acetate
CID 7699782
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 3-cyanobenzoate
CID 18199101
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 18199540
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 5-chloro-2-methylsulfonylpyrimidine-4-carboxylate
CID 42936172

Frequently Asked Questions

What is the IUPAC name of (2-morpholin-4-yl-2-oxo-1-phenylethyl) 2,6-dichlorobenzoate?
The IUPAC name of (2-morpholin-4-yl-2-oxo-1-phenylethyl) 2,6-dichlorobenzoate (CID 18198853) is (2-morpholin-4-yl-2-oxo-1-phenylethyl) 2,6-dichlorobenzoate.
What is the SMILES notation for (2-morpholin-4-yl-2-oxo-1-phenylethyl) 2,6-dichlorobenzoate?
The canonical SMILES for (2-morpholin-4-yl-2-oxo-1-phenylethyl) 2,6-dichlorobenzoate is O=C(OC(C(=O)N1CCOCC1)c1ccccc1)c1c(Cl)cccc1Cl.
What is the InChIKey of (2-morpholin-4-yl-2-oxo-1-phenylethyl) 2,6-dichlorobenzoate?
The InChIKey is OXRACHYADBFIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2NO4/c20-14-7-4-8-15(21)16(14)19(24)26-17(13-5-2-1-3-6-13)18(23)22-9-11-25-12-10-22/h1-8,17H,9-12H2.
What are the key properties of (2-morpholin-4-yl-2-oxo-1-phenylethyl) 2,6-dichlorobenzoate?
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 2,6-dichlorobenzoate has a molecular weight of 394.25 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-morpholin-4-yl-2-oxo-1-phenylethyl) 2,6-dichlorobenzoate is sourced from PubChem (CID 18198853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).