N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-1-(methoxymethyl)-6-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide

About N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-1-(methoxymethyl)-6-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide

N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-1-(methoxymethyl)-6-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide (PubChem CID 175968845) has the molecular formula C25H23F3N4O5 and a molecular weight of 516.48 g/mol. Its IUPAC name is N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-1-(methoxymethyl)-6-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide.

Molecular Properties

Compound Name	N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-1-(methoxymethyl)-6-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide
PubChem CID	175968845
Molecular Formula	C25H23F3N4O5
Molecular Weight	516.48 g/mol
Exact Mass	516.16
IUPAC Name	N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-1-(methoxymethyl)-6-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide
SMILES	COCC1c2cc(C(F)(F)F)ccc2CN1C(=O)Nc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O
InChI	InChI=1S/C25H23F3N4O5/c1-37-12-20-18-9-15(25(26,27)28)3-2-13(18)10-32(20)24(36)29-16-4-5-17-14(8-16)11-31(23(17)35)19-6-7-21(33)30-22(19)34/h2-5,8-9,19-20H,6-7,10-12H2,1H3,(H,29,36)(H,30,33,34)
InChIKey	WNMBOPWGNKWLKV-UHFFFAOYSA-N
XLogP	3.20
TPSA	108.05 Å²
H-Bond Donors	2
H-Bond Acceptors	5
Rotatable Bonds	4
Heavy Atoms	37
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.48
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-1-(methoxymethyl)-6-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide?

The IUPAC name of N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-1-(methoxymethyl)-6-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide (CID 175968845) is N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-1-(methoxymethyl)-6-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide.

What is the SMILES notation for N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-1-(methoxymethyl)-6-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide?

The canonical SMILES for N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-1-(methoxymethyl)-6-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide is COCC1c2cc(C(F)(F)F)ccc2CN1C(=O)Nc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O.

What is the InChIKey of N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-1-(methoxymethyl)-6-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide?

The InChIKey is WNMBOPWGNKWLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N4O5/c1-37-12-20-18-9-15(25(26,27)28)3-2-13(18)10-32(20)24(36)29-16-4-5-17-14(8-16)11-31(23(17)35)19-6-7-21(33)30-22(19)34/h2-5,8-9,19-20H,6-7,10-12H2,1H3,(H,29,36)(H,30,33,34).

What are the key properties of N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-1-(methoxymethyl)-6-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide?

N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-1-(methoxymethyl)-6-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide has a molecular weight of 516.48 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-1-(methoxymethyl)-6-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide is sourced from PubChem (CID 175968845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).