methyl (2R)-2-(2-chlorophenyl)-2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]acetate

C19H19ClFNO3 — CID 36874280

IUPACmethyl (2R)-2-(2-chlorophenyl)-2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]acetate
SMILESCOC(=O)[C@@H](c1ccccc1Cl)N1CCO[C@@H](c2ccc(F)cc2)C1
InChIInChI=1S/C19H19ClFNO3/c1-24-19(23)18(15-4-2-3-5-16(15)20)22-10-11-25-17(12-22)13-6-8-14(21)9-7-13/h2-9,17-18H,10-12H2,1H3/t17-,18-/m1/s1
InChIKeyZSUHWVDFGFSSPT-QZTJIDSGSA-N
MW363.82 g/mol
LogP3.77
Rot. Bonds4

About methyl (2R)-2-(2-chlorophenyl)-2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]acetate

methyl (2R)-2-(2-chlorophenyl)-2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]acetate (PubChem CID 36874280) has the molecular formula C19H19ClFNO3 and a molecular weight of 363.82 g/mol. Its IUPAC name is methyl (2R)-2-(2-chlorophenyl)-2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]acetate.

Molecular Properties

Compound Namemethyl (2R)-2-(2-chlorophenyl)-2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]acetate
PubChem CID36874280
Molecular FormulaC19H19ClFNO3
Molecular Weight363.82 g/mol
Exact Mass363.10
IUPAC Namemethyl (2R)-2-(2-chlorophenyl)-2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]acetate
SMILESCOC(=O)[C@@H](c1ccccc1Cl)N1CCO[C@@H](c2ccc(F)cc2)C1
InChIInChI=1S/C19H19ClFNO3/c1-24-19(23)18(15-4-2-3-5-16(15)20)22-10-11-25-17(12-22)13-6-8-14(21)9-7-13/h2-9,17-18H,10-12H2,1H3/t17-,18-/m1/s1
InChIKeyZSUHWVDFGFSSPT-QZTJIDSGSA-N
XLogP3.77
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.82
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(R)-2-((2S,5R,6S)-2-(4-Fluorobenzyl)-5,6-bis(4-chlorophenyl)-3-oxomorpholino)pentanoic acid
CID 71305072
1-(2,6-Dimethylpiperidin-1-yl)propan-2-yl 2-chlorobenzoate
CID 4139253
US11407721, Example 29
CID 86282047
US11407721, Example 48
CID 86282600
US11407721, Example 47
CID 86282601
Methyl 2-(2-chlorophenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)acetate
CID 42891094
(2r,3e)-2-[(2s,3r,6s)-2,3-Bis(4-Chlorophenyl)-6-(4-Fluorobenzyl)-5-Oxomorpholin-4-Yl]pent-3-Enoic Acid
CID 137347970
(E)-2-[2,3-bis(4-chlorophenyl)-6-[(4-fluorophenyl)methyl]-5-oxomorpholin-4-yl]pent-3-enoic acid
CID 139033303
4-[(2-Chlorophenyl)methyl]-3-(4-fluorophenyl)morpholine-2,5-dione
CID 3615802
(2-Chloro-6-fluorophenyl)(2-phenylmorpholino)methanone
CID 16894681
2-chloro-6-fluoro-N-(2-oxo-2-(2-phenylmorpholino)ethyl)benzamide
CID 16894774
(4-Fluorophenyl)methyl 2-[(2,4-dichlorophenyl)methylamino]-3-phenylpropanoate
CID 178292989

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(2-chlorophenyl)-2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]acetate?
The IUPAC name of methyl (2R)-2-(2-chlorophenyl)-2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]acetate (CID 36874280) is methyl (2R)-2-(2-chlorophenyl)-2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]acetate.
What is the SMILES notation for methyl (2R)-2-(2-chlorophenyl)-2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]acetate?
The canonical SMILES for methyl (2R)-2-(2-chlorophenyl)-2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]acetate is COC(=O)[C@@H](c1ccccc1Cl)N1CCO[C@@H](c2ccc(F)cc2)C1.
What is the InChIKey of methyl (2R)-2-(2-chlorophenyl)-2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]acetate?
The InChIKey is ZSUHWVDFGFSSPT-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H19ClFNO3/c1-24-19(23)18(15-4-2-3-5-16(15)20)22-10-11-25-17(12-22)13-6-8-14(21)9-7-13/h2-9,17-18H,10-12H2,1H3/t17-,18-/m1/s1.
What are the key properties of methyl (2R)-2-(2-chlorophenyl)-2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]acetate?
methyl (2R)-2-(2-chlorophenyl)-2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]acetate has a molecular weight of 363.82 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(2-chlorophenyl)-2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]acetate is sourced from PubChem (CID 36874280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).