(2-morpholin-4-yl-2-oxoethyl) 2-[(4-fluorophenyl)methoxy]benzoate

C20H20FNO5 — CID 9114492

IUPAC(2-morpholin-4-yl-2-oxoethyl) 2-[(4-fluorophenyl)methoxy]benzoate
SMILESO=C(OCC(=O)N1CCOCC1)c1ccccc1OCc1ccc(F)cc1
InChIInChI=1S/C20H20FNO5/c21-16-7-5-15(6-8-16)13-26-18-4-2-1-3-17(18)20(24)27-14-19(23)22-9-11-25-12-10-22/h1-8H,9-14H2
InChIKeyQBVRMSCVGXXYFA-UHFFFAOYSA-N
MW373.38 g/mol
LogP2.42
Rot. Bonds6

About (2-morpholin-4-yl-2-oxoethyl) 2-[(4-fluorophenyl)methoxy]benzoate

(2-morpholin-4-yl-2-oxoethyl) 2-[(4-fluorophenyl)methoxy]benzoate (PubChem CID 9114492) has the molecular formula C20H20FNO5 and a molecular weight of 373.38 g/mol. Its IUPAC name is (2-morpholin-4-yl-2-oxoethyl) 2-[(4-fluorophenyl)methoxy]benzoate.

Molecular Properties

Compound Name(2-morpholin-4-yl-2-oxoethyl) 2-[(4-fluorophenyl)methoxy]benzoate
PubChem CID9114492
Molecular FormulaC20H20FNO5
Molecular Weight373.38 g/mol
Exact Mass373.13
IUPAC Name(2-morpholin-4-yl-2-oxoethyl) 2-[(4-fluorophenyl)methoxy]benzoate
SMILESO=C(OCC(=O)N1CCOCC1)c1ccccc1OCc1ccc(F)cc1
InChIInChI=1S/C20H20FNO5/c21-16-7-5-15(6-8-16)13-26-18-4-2-1-3-17(18)20(24)27-14-19(23)22-9-11-25-12-10-22/h1-8H,9-14H2
InChIKeyQBVRMSCVGXXYFA-UHFFFAOYSA-N
XLogP2.42
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-Benzoylphenoxy)-1-(morpholin-4-yl)ethan-1-one
CID 2457115
(2-Morpholin-4-yl-2-oxoethyl) 2-hydroxybenzoate
CID 2094810
(Z)-2-(4-methoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl morpholine-4-carboxylate
CID 1992456
(Z)-2-(4-fluorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl morpholine-4-carboxylate
CID 2019188
(2-Oxo-2-pyrrolidin-1-ylethyl) 4-oxochromene-2-carboxylate
CID 2356198
[2-(Cyclohexylmethylamino)-2-oxoethyl] 2-ethoxybenzoate
CID 2636785
Ethyl 1-[2-(2-ethoxybenzoyl)oxyacetyl]piperidine-4-carboxylate
CID 3600592
[2-(3,5-Dimethylpiperidin-1-yl)-2-oxoethyl] 2-oxochromene-3-carboxylate
CID 4421749
[1-(Cyclopropylamino)-1-oxopropan-2-yl] 2-phenoxybenzoate
CID 4877306
2-[(Dimethylcarbamoyl)methoxy]benzoic acid
CID 4962590
2-Methyl-benzoic acid 2-(morpholine-4-carbonyl)-phenyl ester
CID 794052
Methyl 2-[2-(cyclohexylamino)-2-oxoethoxy]benzoate
CID 891719

Frequently Asked Questions

What is the IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 2-[(4-fluorophenyl)methoxy]benzoate?
The IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 2-[(4-fluorophenyl)methoxy]benzoate (CID 9114492) is (2-morpholin-4-yl-2-oxoethyl) 2-[(4-fluorophenyl)methoxy]benzoate.
What is the SMILES notation for (2-morpholin-4-yl-2-oxoethyl) 2-[(4-fluorophenyl)methoxy]benzoate?
The canonical SMILES for (2-morpholin-4-yl-2-oxoethyl) 2-[(4-fluorophenyl)methoxy]benzoate is O=C(OCC(=O)N1CCOCC1)c1ccccc1OCc1ccc(F)cc1.
What is the InChIKey of (2-morpholin-4-yl-2-oxoethyl) 2-[(4-fluorophenyl)methoxy]benzoate?
The InChIKey is QBVRMSCVGXXYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO5/c21-16-7-5-15(6-8-16)13-26-18-4-2-1-3-17(18)20(24)27-14-19(23)22-9-11-25-12-10-22/h1-8H,9-14H2.
What are the key properties of (2-morpholin-4-yl-2-oxoethyl) 2-[(4-fluorophenyl)methoxy]benzoate?
(2-morpholin-4-yl-2-oxoethyl) 2-[(4-fluorophenyl)methoxy]benzoate has a molecular weight of 373.38 g/mol, XLogP of 2.42, 6 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-oxoethyl) 2-[(4-fluorophenyl)methoxy]benzoate is sourced from PubChem (CID 9114492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).