[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate

C22H22ClF3N2O5 — CID 2487812

IUPAC[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate
SMILESCc1cc(OCC(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)ccc1Cl
InChIInChI=1S/C22H22ClF3N2O5/c1-14-10-16(3-4-17(14)23)32-13-21(30)33-12-20(29)27-18-11-15(22(24,25)26)2-5-19(18)28-6-8-31-9-7-28/h2-5,10-11H,6-9,12-13H2,1H3,(H,27,29)
InChIKeyMXILEJGPLCRXKQ-UHFFFAOYSA-N
MW486.87 g/mol
LogP4.06
Rot. Bonds7

About [2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate

[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate (PubChem CID 2487812) has the molecular formula C22H22ClF3N2O5 and a molecular weight of 486.87 g/mol. Its IUPAC name is [2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate.

Molecular Properties

Compound Name[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate
PubChem CID2487812
Molecular FormulaC22H22ClF3N2O5
Molecular Weight486.87 g/mol
Exact Mass486.12
IUPAC Name[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate
SMILESCc1cc(OCC(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)ccc1Cl
InChIInChI=1S/C22H22ClF3N2O5/c1-14-10-16(3-4-17(14)23)32-13-21(30)33-12-20(29)27-18-11-15(22(24,25)26)2-5-19(18)28-6-8-31-9-7-28/h2-5,10-11H,6-9,12-13H2,1H3,(H,27,29)
InChIKeyMXILEJGPLCRXKQ-UHFFFAOYSA-N
XLogP4.06
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.87
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-methoxyacetate
CID 7669566
2-(4-methylphenoxy)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 2161692
2-(4-ethoxyphenoxy)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 16546340
2-(4-fluorophenoxy)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 7892012
2-(4-ethylphenoxy)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 3921183
2-(3-fluorophenoxy)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 7551397
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide
CID 17117721
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 7892006
2-(4-methyl-2-oxochromen-7-yl)oxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 1079166
[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 3,3-diphenylpropanoate
CID 4831200
[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] (1S)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 40821592
[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate
CID 5022412

Frequently Asked Questions

What is the IUPAC name of [2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate?
The IUPAC name of [2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate (CID 2487812) is [2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate.
What is the SMILES notation for [2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate?
The canonical SMILES for [2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate is Cc1cc(OCC(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)ccc1Cl.
What is the InChIKey of [2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate?
The InChIKey is MXILEJGPLCRXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClF3N2O5/c1-14-10-16(3-4-17(14)23)32-13-21(30)33-12-20(29)27-18-11-15(22(24,25)26)2-5-19(18)28-6-8-31-9-7-28/h2-5,10-11H,6-9,12-13H2,1H3,(H,27,29).
What are the key properties of [2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate?
[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate has a molecular weight of 486.87 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate is sourced from PubChem (CID 2487812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).