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

C25H20F3N3O5 — CID 155316184

IUPACN-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-oxo-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide
SMILESO=C1CCC(N2Cc3c(NC(=O)C(=O)c4ccc(C5(C(F)(F)F)CC5)cc4)cccc3C2=O)C(=O)N1
InChIInChI=1S/C25H20F3N3O5/c26-25(27,28)24(10-11-24)14-6-4-13(5-7-14)20(33)22(35)29-17-3-1-2-15-16(17)12-31(23(15)36)18-8-9-19(32)30-21(18)34/h1-7,18H,8-12H2,(H,29,35)(H,30,32,34)
InChIKeyMACMVYAZBJFSDS-UHFFFAOYSA-N
MW499.45 g/mol
LogP2.86
Rot. Bonds5

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

N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-oxo-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide (PubChem CID 155316184) has the molecular formula C25H20F3N3O5 and a molecular weight of 499.45 g/mol. Its IUPAC name is N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-oxo-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-oxo-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide
PubChem CID155316184
Molecular FormulaC25H20F3N3O5
Molecular Weight499.45 g/mol
Exact Mass499.14
IUPAC NameN-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-oxo-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide
SMILESO=C1CCC(N2Cc3c(NC(=O)C(=O)c4ccc(C5(C(F)(F)F)CC5)cc4)cccc3C2=O)C(=O)N1
InChIInChI=1S/C25H20F3N3O5/c26-25(27,28)24(10-11-24)14-6-4-13(5-7-14)20(33)22(35)29-17-3-1-2-15-16(17)12-31(23(15)36)18-8-9-19(32)30-21(18)34/h1-7,18H,8-12H2,(H,29,35)(H,30,32,34)
InChIKeyMACMVYAZBJFSDS-UHFFFAOYSA-N
XLogP2.86
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.45
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-2-oxo-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide;ethane
CID 155731159
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-hydroxyacetamide
CID 155292309
tert-butyl N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]carbamate
CID 130441784
N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]methyl]-2-oxo-2-[4-(trifluoromethyl)phenyl]acetamide
CID 155316219
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-fluorobenzamide
CID 154810838
(E)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]but-2-enamide
CID 167989554
7-amino-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]heptanamide;2,2,2-trifluoroacetic acid
CID 121439741
4-amino-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]butanamide;2,2,2-trifluoroacetic acid
CID 175815332
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-5-fluorothiophene-2-carboxamide
CID 166425662
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2,4-difluorobenzamide
CID 154810843
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]hexanamide
CID 134164434
4-amino-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]butanamide;hydrochloride
CID 155292281

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-oxo-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide?
The IUPAC name of N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-oxo-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide (CID 155316184) is N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-oxo-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide.
What is the SMILES notation for N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-oxo-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide?
The canonical SMILES for N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-oxo-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide is O=C1CCC(N2Cc3c(NC(=O)C(=O)c4ccc(C5(C(F)(F)F)CC5)cc4)cccc3C2=O)C(=O)N1.
What is the InChIKey of N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-oxo-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide?
The InChIKey is MACMVYAZBJFSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3N3O5/c26-25(27,28)24(10-11-24)14-6-4-13(5-7-14)20(33)22(35)29-17-3-1-2-15-16(17)12-31(23(15)36)18-8-9-19(32)30-21(18)34/h1-7,18H,8-12H2,(H,29,35)(H,30,32,34).
What are the key properties of N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-oxo-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide?
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-oxo-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide has a molecular weight of 499.45 g/mol, XLogP of 2.86, 5 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-4-yl]-2-oxo-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide is sourced from PubChem (CID 155316184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).