2-[4-(ethylamino)-4,5,6,7-tetrahydroisoindol-2-yl]-N-(2,2,2-trifluoroethyl)acetamide

C14H20F3N3O — CID 83204458

IUPAC2-[4-(ethylamino)-4,5,6,7-tetrahydroisoindol-2-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCNC1CCCc2cn(CC(=O)NCC(F)(F)F)cc21
InChIInChI=1S/C14H20F3N3O/c1-2-18-12-5-3-4-10-6-20(7-11(10)12)8-13(21)19-9-14(15,16)17/h6-7,12,18H,2-5,8-9H2,1H3,(H,19,21)
InChIKeyUFYIJSWJTYUMBR-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.15
Rot. Bonds5

About 2-[4-(ethylamino)-4,5,6,7-tetrahydroisoindol-2-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[4-(ethylamino)-4,5,6,7-tetrahydroisoindol-2-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 83204458) has the molecular formula C14H20F3N3O and a molecular weight of 303.33 g/mol. Its IUPAC name is 2-[4-(ethylamino)-4,5,6,7-tetrahydroisoindol-2-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[4-(ethylamino)-4,5,6,7-tetrahydroisoindol-2-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID83204458
Molecular FormulaC14H20F3N3O
Molecular Weight303.33 g/mol
Exact Mass303.16
IUPAC Name2-[4-(ethylamino)-4,5,6,7-tetrahydroisoindol-2-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCNC1CCCc2cn(CC(=O)NCC(F)(F)F)cc21
InChIInChI=1S/C14H20F3N3O/c1-2-18-12-5-3-4-10-6-20(7-11(10)12)8-13(21)19-9-14(15,16)17/h6-7,12,18H,2-5,8-9H2,1H3,(H,19,21)
InChIKeyUFYIJSWJTYUMBR-UHFFFAOYSA-N
XLogP2.15
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(ethylamino)-4,5,6,7-tetrahydroisoindol-2-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[4-(ethylamino)-4,5,6,7-tetrahydroisoindol-2-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 83204458) is 2-[4-(ethylamino)-4,5,6,7-tetrahydroisoindol-2-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[4-(ethylamino)-4,5,6,7-tetrahydroisoindol-2-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[4-(ethylamino)-4,5,6,7-tetrahydroisoindol-2-yl]-N-(2,2,2-trifluoroethyl)acetamide is CCNC1CCCc2cn(CC(=O)NCC(F)(F)F)cc21.
What is the InChIKey of 2-[4-(ethylamino)-4,5,6,7-tetrahydroisoindol-2-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is UFYIJSWJTYUMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O/c1-2-18-12-5-3-4-10-6-20(7-11(10)12)8-13(21)19-9-14(15,16)17/h6-7,12,18H,2-5,8-9H2,1H3,(H,19,21).
What are the key properties of 2-[4-(ethylamino)-4,5,6,7-tetrahydroisoindol-2-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[4-(ethylamino)-4,5,6,7-tetrahydroisoindol-2-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 303.33 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(ethylamino)-4,5,6,7-tetrahydroisoindol-2-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 83204458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).