[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(2-chloro-4-fluorophenoxy)acetate

C20H19ClFNO5 — CID 8639042

IUPAC[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(2-chloro-4-fluorophenoxy)acetate
SMILESO=C(COc1ccc(F)cc1Cl)O[C@@H](C(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C20H19ClFNO5/c21-16-12-15(22)6-7-17(16)27-13-18(24)28-19(14-4-2-1-3-5-14)20(25)23-8-10-26-11-9-23/h1-7,12,19H,8-11,13H2/t19-/m1/s1
InChIKeyACPCTLGRSSDPND-LJQANCHMSA-N
MW407.83 g/mol
LogP3.00
Rot. Bonds6

About [(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(2-chloro-4-fluorophenoxy)acetate

[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(2-chloro-4-fluorophenoxy)acetate (PubChem CID 8639042) has the molecular formula C20H19ClFNO5 and a molecular weight of 407.83 g/mol. Its IUPAC name is [(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(2-chloro-4-fluorophenoxy)acetate.

Molecular Properties

Compound Name[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(2-chloro-4-fluorophenoxy)acetate
PubChem CID8639042
Molecular FormulaC20H19ClFNO5
Molecular Weight407.83 g/mol
Exact Mass407.09
IUPAC Name[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(2-chloro-4-fluorophenoxy)acetate
SMILESO=C(COc1ccc(F)cc1Cl)O[C@@H](C(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C20H19ClFNO5/c21-16-12-15(22)6-7-17(16)27-13-18(24)28-19(14-4-2-1-3-5-14)20(25)23-8-10-26-11-9-23/h1-7,12,19H,8-11,13H2/t19-/m1/s1
InChIKeyACPCTLGRSSDPND-LJQANCHMSA-N
XLogP3.00
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.83
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(2-chloro-4-fluorophenoxy)acetate with MolForge

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Related Compounds

(2-morpholin-4-yl-2-oxo-1-phenylethyl) 2-(4-fluorophenoxy)acetate
CID 47009421
2-(2-chloro-4-fluorophenoxy)-1-morpholin-4-ylethanone
CID 17190853
[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(4-ethoxyphenoxy)acetate
CID 7704937
(2R)-1-morpholin-4-yl-2-phenyl-2-(2,4,5-trichlorophenoxy)ethanone
CID 7701309
[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(4-chlorophenyl)acetate
CID 7699782
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 2,6-dichlorobenzoate
CID 18198853
[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 7715221
(2R)-2-(2-bromo-4-chlorophenoxy)-1-morpholin-4-yl-2-phenylethanone
CID 7706069
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-(2-chloro-4-fluorophenoxy)acetate
CID 9060339
2-(2-chlorophenoxy)-1-morpholin-4-ylethanone
CID 905479
2-(2-chloro-4-fluorophenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 35161239
(3R)-4-[2-(2-chloro-4-fluorophenoxy)acetyl]morpholine-3-carboxylic acid
CID 124513243

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(2-chloro-4-fluorophenoxy)acetate?
The IUPAC name of [(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(2-chloro-4-fluorophenoxy)acetate (CID 8639042) is [(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(2-chloro-4-fluorophenoxy)acetate.
What is the SMILES notation for [(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(2-chloro-4-fluorophenoxy)acetate?
The canonical SMILES for [(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(2-chloro-4-fluorophenoxy)acetate is O=C(COc1ccc(F)cc1Cl)O[C@@H](C(=O)N1CCOCC1)c1ccccc1.
What is the InChIKey of [(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(2-chloro-4-fluorophenoxy)acetate?
The InChIKey is ACPCTLGRSSDPND-LJQANCHMSA-N. The full InChI is InChI=1S/C20H19ClFNO5/c21-16-12-15(22)6-7-17(16)27-13-18(24)28-19(14-4-2-1-3-5-14)20(25)23-8-10-26-11-9-23/h1-7,12,19H,8-11,13H2/t19-/m1/s1.
What are the key properties of [(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(2-chloro-4-fluorophenoxy)acetate?
[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(2-chloro-4-fluorophenoxy)acetate has a molecular weight of 407.83 g/mol, XLogP of 3.00, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(2-chloro-4-fluorophenoxy)acetate is sourced from PubChem (CID 8639042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).