2-[[2-[6-oxo-5-(trifluoromethyl)diazinan-4-yl]-1,3-dihydroisoindol-4-yl]oxy]acetamide

C15H17F3N4O3 — CID 154825881

IUPAC2-[[2-[6-oxo-5-(trifluoromethyl)diazinan-4-yl]-1,3-dihydroisoindol-4-yl]oxy]acetamide
SMILESNC(=O)COc1cccc2c1CN(C1CNNC(=O)C1C(F)(F)F)C2
InChIInChI=1S/C15H17F3N4O3/c16-15(17,18)13-10(4-20-21-14(13)24)22-5-8-2-1-3-11(9(8)6-22)25-7-12(19)23/h1-3,10,13,20H,4-7H2,(H2,19,23)(H,21,24)
InChIKeyGYKPCDONGRJIEF-UHFFFAOYSA-N
MW358.32 g/mol
LogP0.05
Rot. Bonds4

About 2-[[2-[6-oxo-5-(trifluoromethyl)diazinan-4-yl]-1,3-dihydroisoindol-4-yl]oxy]acetamide

2-[[2-[6-oxo-5-(trifluoromethyl)diazinan-4-yl]-1,3-dihydroisoindol-4-yl]oxy]acetamide (PubChem CID 154825881) has the molecular formula C15H17F3N4O3 and a molecular weight of 358.32 g/mol. Its IUPAC name is 2-[[2-[6-oxo-5-(trifluoromethyl)diazinan-4-yl]-1,3-dihydroisoindol-4-yl]oxy]acetamide.

Molecular Properties

Compound Name2-[[2-[6-oxo-5-(trifluoromethyl)diazinan-4-yl]-1,3-dihydroisoindol-4-yl]oxy]acetamide
PubChem CID154825881
Molecular FormulaC15H17F3N4O3
Molecular Weight358.32 g/mol
Exact Mass358.13
IUPAC Name2-[[2-[6-oxo-5-(trifluoromethyl)diazinan-4-yl]-1,3-dihydroisoindol-4-yl]oxy]acetamide
SMILESNC(=O)COc1cccc2c1CN(C1CNNC(=O)C1C(F)(F)F)C2
InChIInChI=1S/C15H17F3N4O3/c16-15(17,18)13-10(4-20-21-14(13)24)22-5-8-2-1-3-11(9(8)6-22)25-7-12(19)23/h1-3,10,13,20H,4-7H2,(H2,19,23)(H,21,24)
InChIKeyGYKPCDONGRJIEF-UHFFFAOYSA-N
XLogP0.05
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.32
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[6-oxo-5-(trifluoromethyl)diazinan-4-yl]-1,3-dihydroisoindol-4-yl]oxy]acetamide?
The IUPAC name of 2-[[2-[6-oxo-5-(trifluoromethyl)diazinan-4-yl]-1,3-dihydroisoindol-4-yl]oxy]acetamide (CID 154825881) is 2-[[2-[6-oxo-5-(trifluoromethyl)diazinan-4-yl]-1,3-dihydroisoindol-4-yl]oxy]acetamide.
What is the SMILES notation for 2-[[2-[6-oxo-5-(trifluoromethyl)diazinan-4-yl]-1,3-dihydroisoindol-4-yl]oxy]acetamide?
The canonical SMILES for 2-[[2-[6-oxo-5-(trifluoromethyl)diazinan-4-yl]-1,3-dihydroisoindol-4-yl]oxy]acetamide is NC(=O)COc1cccc2c1CN(C1CNNC(=O)C1C(F)(F)F)C2.
What is the InChIKey of 2-[[2-[6-oxo-5-(trifluoromethyl)diazinan-4-yl]-1,3-dihydroisoindol-4-yl]oxy]acetamide?
The InChIKey is GYKPCDONGRJIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O3/c16-15(17,18)13-10(4-20-21-14(13)24)22-5-8-2-1-3-11(9(8)6-22)25-7-12(19)23/h1-3,10,13,20H,4-7H2,(H2,19,23)(H,21,24).
What are the key properties of 2-[[2-[6-oxo-5-(trifluoromethyl)diazinan-4-yl]-1,3-dihydroisoindol-4-yl]oxy]acetamide?
2-[[2-[6-oxo-5-(trifluoromethyl)diazinan-4-yl]-1,3-dihydroisoindol-4-yl]oxy]acetamide has a molecular weight of 358.32 g/mol, XLogP of 0.05, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[6-oxo-5-(trifluoromethyl)diazinan-4-yl]-1,3-dihydroisoindol-4-yl]oxy]acetamide is sourced from PubChem (CID 154825881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).