N-[[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]methyl]-2-[4-[1-(trifluoromethyl)cyclopropyl]anilino]acetamide

About N-[[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]methyl]-2-[4-[1-(trifluoromethyl)cyclopropyl]anilino]acetamide

N-[[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]methyl]-2-[4-[1-(trifluoromethyl)cyclopropyl]anilino]acetamide (PubChem CID 147260532) has the molecular formula C26H25F3N4O4 and a molecular weight of 514.50 g/mol. Its IUPAC name is N-[[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]methyl]-2-[4-[1-(trifluoromethyl)cyclopropyl]anilino]acetamide.

Molecular Properties

Compound Name	N-[[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]methyl]-2-[4-[1-(trifluoromethyl)cyclopropyl]anilino]acetamide
PubChem CID	147260532
Molecular Formula	C26H25F3N4O4
Molecular Weight	514.50 g/mol
Exact Mass	514.18
IUPAC Name	N-[[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]methyl]-2-[4-[1-(trifluoromethyl)cyclopropyl]anilino]acetamide
SMILES	O=C(CNc1ccc(C2(C(F)(F)F)CC2)cc1)NCc1ccc2c(c1)CN([C@H]1CCC(=O)NC1=O)C2=O
InChI	InChI=1S/C26H25F3N4O4/c27-26(28,29)25(9-10-25)17-2-4-18(5-3-17)30-13-22(35)31-12-15-1-6-19-16(11-15)14-33(24(19)37)20-7-8-21(34)32-23(20)36/h1-6,11,20,30H,7-10,12-14H2,(H,31,35)(H,32,34,36)/t20-/m0/s1
InChIKey	COLUTLPCDXFKJG-FQEVSTJZSA-N
XLogP	2.77
TPSA	107.61 Å²
H-Bond Donors	3
H-Bond Acceptors	5
Rotatable Bonds	7
Heavy Atoms	37
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.50
LogP ≤ 5	2.77
H-Bond Donors ≤ 5	3
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-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]methyl]-2-[4-[1-(trifluoromethyl)cyclopropyl]anilino]acetamide?

The IUPAC name of N-[[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]methyl]-2-[4-[1-(trifluoromethyl)cyclopropyl]anilino]acetamide (CID 147260532) is N-[[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]methyl]-2-[4-[1-(trifluoromethyl)cyclopropyl]anilino]acetamide.

What is the SMILES notation for N-[[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]methyl]-2-[4-[1-(trifluoromethyl)cyclopropyl]anilino]acetamide?

The canonical SMILES for N-[[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]methyl]-2-[4-[1-(trifluoromethyl)cyclopropyl]anilino]acetamide is O=C(CNc1ccc(C2(C(F)(F)F)CC2)cc1)NCc1ccc2c(c1)CN([C@H]1CCC(=O)NC1=O)C2=O.

What is the InChIKey of N-[[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]methyl]-2-[4-[1-(trifluoromethyl)cyclopropyl]anilino]acetamide?

The InChIKey is COLUTLPCDXFKJG-FQEVSTJZSA-N. The full InChI is InChI=1S/C26H25F3N4O4/c27-26(28,29)25(9-10-25)17-2-4-18(5-3-17)30-13-22(35)31-12-15-1-6-19-16(11-15)14-33(24(19)37)20-7-8-21(34)32-23(20)36/h1-6,11,20,30H,7-10,12-14H2,(H,31,35)(H,32,34,36)/t20-/m0/s1.

What are the key properties of N-[[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]methyl]-2-[4-[1-(trifluoromethyl)cyclopropyl]anilino]acetamide?

N-[[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]methyl]-2-[4-[1-(trifluoromethyl)cyclopropyl]anilino]acetamide has a molecular weight of 514.50 g/mol, XLogP of 2.77, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]methyl]-2-[4-[1-(trifluoromethyl)cyclopropyl]anilino]acetamide is sourced from PubChem (CID 147260532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).