N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-2,2-difluoro-2-phenylacetamide

C22H19F2N3O4 — CID 118647258

IUPACN-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-2,2-difluoro-2-phenylacetamide
SMILESO=C1CCC(N2Cc3cc(CNC(=O)C(F)(F)c4ccccc4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C22H19F2N3O4/c23-22(24,15-4-2-1-3-5-15)21(31)25-11-13-6-7-16-14(10-13)12-27(20(16)30)17-8-9-18(28)26-19(17)29/h1-7,10,17H,8-9,11-12H2,(H,25,31)(H,26,28,29)
InChIKeyXGBDIBOYKIRRPQ-UHFFFAOYSA-N
MW427.41 g/mol
LogP1.86
Rot. Bonds5

About N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-2,2-difluoro-2-phenylacetamide

N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-2,2-difluoro-2-phenylacetamide (PubChem CID 118647258) has the molecular formula C22H19F2N3O4 and a molecular weight of 427.41 g/mol. Its IUPAC name is N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-2,2-difluoro-2-phenylacetamide.

Molecular Properties

Compound NameN-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-2,2-difluoro-2-phenylacetamide
PubChem CID118647258
Molecular FormulaC22H19F2N3O4
Molecular Weight427.41 g/mol
Exact Mass427.13
IUPAC NameN-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-2,2-difluoro-2-phenylacetamide
SMILESO=C1CCC(N2Cc3cc(CNC(=O)C(F)(F)c4ccccc4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C22H19F2N3O4/c23-22(24,15-4-2-1-3-5-15)21(31)25-11-13-6-7-16-14(10-13)12-27(20(16)30)17-8-9-18(28)26-19(17)29/h1-7,10,17H,8-9,11-12H2,(H,25,31)(H,26,28,29)
InChIKeyXGBDIBOYKIRRPQ-UHFFFAOYSA-N
XLogP1.86
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.41
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-2,2-difluoro-2-phenylacetamide with MolForge

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Related Compounds

Thalidomide
CID 5426
(S)-Thalidomide
CID 92142
3-(1,3-Dihydro-1-oxo-2H-isoindol-2-yl)-2,6-piperidinedione
CID 91585
Eragidomide
CID 118647211
Nvp-dky709
CID 137519326
Itareparib
CID 73774960
(R)-Thalidomide
CID 75792
Cc-11006
CID 10155135
N-(2-Oxo-3-piperidyl)phthalimide
CID 135339
1H-Isoindole-1,3(2H)-dione, 2-(2,6-dioxo-3-piperidinyl)-4-fluoro-
CID 11859051
2-(2,6-dioxopiperidin-3-yl)-5-fluoro-2,3-dihydro-1H-isoindole-1,3-dione
CID 70876201
3-Oxo-2-Piperidin-4-Yl-2,3-Dihydro-1h-Isoindole-4-Carboxamide
CID 24937836

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-2,2-difluoro-2-phenylacetamide?
The IUPAC name of N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-2,2-difluoro-2-phenylacetamide (CID 118647258) is N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-2,2-difluoro-2-phenylacetamide.
What is the SMILES notation for N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-2,2-difluoro-2-phenylacetamide?
The canonical SMILES for N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-2,2-difluoro-2-phenylacetamide is O=C1CCC(N2Cc3cc(CNC(=O)C(F)(F)c4ccccc4)ccc3C2=O)C(=O)N1.
What is the InChIKey of N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-2,2-difluoro-2-phenylacetamide?
The InChIKey is XGBDIBOYKIRRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N3O4/c23-22(24,15-4-2-1-3-5-15)21(31)25-11-13-6-7-16-14(10-13)12-27(20(16)30)17-8-9-18(28)26-19(17)29/h1-7,10,17H,8-9,11-12H2,(H,25,31)(H,26,28,29).
What are the key properties of N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-2,2-difluoro-2-phenylacetamide?
N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-2,2-difluoro-2-phenylacetamide has a molecular weight of 427.41 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 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]methyl]-2,2-difluoro-2-phenylacetamide is sourced from PubChem (CID 118647258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).