(2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-(trifluoromethoxy)benzoate

C20H18F3NO5 — CID 51110252

IUPAC(2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-(trifluoromethoxy)benzoate
SMILESO=C(OC(C(=O)N1CCOCC1)c1ccccc1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H18F3NO5/c21-20(22,23)29-16-8-6-15(7-9-16)19(26)28-17(14-4-2-1-3-5-14)18(25)24-10-12-27-13-11-24/h1-9,17H,10-13H2
InChIKeyXZRQQSVSBJLUGB-UHFFFAOYSA-N
MW409.36 g/mol
LogP3.34
Rot. Bonds5

About (2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-(trifluoromethoxy)benzoate

(2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-(trifluoromethoxy)benzoate (PubChem CID 51110252) has the molecular formula C20H18F3NO5 and a molecular weight of 409.36 g/mol. Its IUPAC name is (2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-(trifluoromethoxy)benzoate.

Molecular Properties

Compound Name(2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-(trifluoromethoxy)benzoate
PubChem CID51110252
Molecular FormulaC20H18F3NO5
Molecular Weight409.36 g/mol
Exact Mass409.11
IUPAC Name(2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-(trifluoromethoxy)benzoate
SMILESO=C(OC(C(=O)N1CCOCC1)c1ccccc1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H18F3NO5/c21-20(22,23)29-16-8-6-15(7-9-16)19(26)28-17(14-4-2-1-3-5-14)18(25)24-10-12-27-13-11-24/h1-9,17H,10-13H2
InChIKeyXZRQQSVSBJLUGB-UHFFFAOYSA-N
XLogP3.34
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.36
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-methoxybenzoate
CID 18198778
[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-methylsulfanylbenzoate
CID 8913443
[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
CID 7705762
(2-oxo-1,2-diphenylethyl) 4-(trifluoromethoxy)benzoate
CID 4159962
N-(2-morpholin-4-yl-2-phenylethyl)-4-(trifluoromethoxy)benzamide
CID 46578547
[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-(5-methylpyrazol-1-yl)benzoate
CID 8641086
4-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethoxy]benzamide
CID 8639436
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 2,6-dichlorobenzoate
CID 18198853
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 43031541
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 3-cyanobenzoate
CID 18199101
(2-morpholin-4-yl-2-oxo-1-phenylethyl) thiophene-2-carboxylate
CID 17446175
[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2,5-dimethoxybenzoate
CID 7716217

Frequently Asked Questions

What is the IUPAC name of (2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-(trifluoromethoxy)benzoate?
The IUPAC name of (2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-(trifluoromethoxy)benzoate (CID 51110252) is (2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-(trifluoromethoxy)benzoate.
What is the SMILES notation for (2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-(trifluoromethoxy)benzoate?
The canonical SMILES for (2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-(trifluoromethoxy)benzoate is O=C(OC(C(=O)N1CCOCC1)c1ccccc1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of (2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-(trifluoromethoxy)benzoate?
The InChIKey is XZRQQSVSBJLUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3NO5/c21-20(22,23)29-16-8-6-15(7-9-16)19(26)28-17(14-4-2-1-3-5-14)18(25)24-10-12-27-13-11-24/h1-9,17H,10-13H2.
What are the key properties of (2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-(trifluoromethoxy)benzoate?
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-(trifluoromethoxy)benzoate has a molecular weight of 409.36 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-(trifluoromethoxy)benzoate is sourced from PubChem (CID 51110252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).