[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-cyclopentylacetate

C20H25F3N2O4 — CID 5207752

IUPAC[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-cyclopentylacetate
SMILESO=C(COC(=O)CC1CCCC1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C20H25F3N2O4/c21-20(22,23)15-5-6-17(25-7-9-28-10-8-25)16(12-15)24-18(26)13-29-19(27)11-14-3-1-2-4-14/h5-6,12,14H,1-4,7-11,13H2,(H,24,26)
InChIKeyGXQZMHRCCGSBSX-UHFFFAOYSA-N
MW414.42 g/mol
LogP3.60
Rot. Bonds6

About [2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-cyclopentylacetate

[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-cyclopentylacetate (PubChem CID 5207752) has the molecular formula C20H25F3N2O4 and a molecular weight of 414.42 g/mol. Its IUPAC name is [2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-cyclopentylacetate.

Molecular Properties

Compound Name[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-cyclopentylacetate
PubChem CID5207752
Molecular FormulaC20H25F3N2O4
Molecular Weight414.42 g/mol
Exact Mass414.18
IUPAC Name[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-cyclopentylacetate
SMILESO=C(COC(=O)CC1CCCC1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C20H25F3N2O4/c21-20(22,23)15-5-6-17(25-7-9-28-10-8-25)16(12-15)24-18(26)13-29-19(27)11-14-3-1-2-4-14/h5-6,12,14H,1-4,7-11,13H2,(H,24,26)
InChIKeyGXQZMHRCCGSBSX-UHFFFAOYSA-N
XLogP3.60
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.42
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-cyclopentylacetate?
The IUPAC name of [2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-cyclopentylacetate (CID 5207752) is [2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-cyclopentylacetate.
What is the SMILES notation for [2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-cyclopentylacetate?
The canonical SMILES for [2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-cyclopentylacetate is O=C(COC(=O)CC1CCCC1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1.
What is the InChIKey of [2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-cyclopentylacetate?
The InChIKey is GXQZMHRCCGSBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N2O4/c21-20(22,23)15-5-6-17(25-7-9-28-10-8-25)16(12-15)24-18(26)13-29-19(27)11-14-3-1-2-4-14/h5-6,12,14H,1-4,7-11,13H2,(H,24,26).
What are the key properties of [2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-cyclopentylacetate?
[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-cyclopentylacetate has a molecular weight of 414.42 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-cyclopentylacetate is sourced from PubChem (CID 5207752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).