2-(4-chloro-2,3,5,6-tetradeuteriophenyl)-N-deuterio-N-[dideuterio-[3,3,4,6,7-pentadeuterio-2-(1,3,4,4,5,5-hexadeuterio-2,6-dioxopiperidin-3-yl)-1-oxoisoindol-5-yl]methyl]-2,2-difluoroacetamide

C22H18ClF2N3O4 — CID 156629122

IUPAC2-(4-chloro-2,3,5,6-tetradeuteriophenyl)-N-deuterio-N-[dideuterio-[3,3,4,6,7-pentadeuterio-2-(1,3,4,4,5,5-hexadeuterio-2,6-dioxopiperidin-3-yl)-1-oxoisoindol-5-yl]methyl]-2,2-difluoroacetamide
SMILES[2H]c1c([2H])c(C(F)(F)C(=O)N([2H])C([2H])([2H])c2c([2H])c([2H])c3c(c2[2H])C([2H])([2H])N(C2([2H])C(=O)N([2H])C(=O)C([2H])([2H])C2([2H])[2H])C3=O)c([2H])c([2H])c1Cl
InChIInChI=1S/C22H18ClF2N3O4/c23-15-4-2-14(3-5-15)22(24,25)21(32)26-10-12-1-6-16-13(9-12)11-28(20(16)31)17-7-8-18(29)27-19(17)30/h1-6,9,17H,7-8,10-11H2,(H,26,32)(H,27,29,30)/i1D,2D,3D,4D,5D,6D,7D2,8D2,9D,10D2,11D2,17D/hD2
InChIKeyPWBHUSLMHZLGRN-NTLNLUKHSA-N
MW479.96 g/mol
LogP2.51
Rot. Bonds5

About 2-(4-chloro-2,3,5,6-tetradeuteriophenyl)-N-deuterio-N-[dideuterio-[3,3,4,6,7-pentadeuterio-2-(1,3,4,4,5,5-hexadeuterio-2,6-dioxopiperidin-3-yl)-1-oxoisoindol-5-yl]methyl]-2,2-difluoroacetamide

2-(4-chloro-2,3,5,6-tetradeuteriophenyl)-N-deuterio-N-[dideuterio-[3,3,4,6,7-pentadeuterio-2-(1,3,4,4,5,5-hexadeuterio-2,6-dioxopiperidin-3-yl)-1-oxoisoindol-5-yl]methyl]-2,2-difluoroacetamide (PubChem CID 156629122) has the molecular formula C22H18ClF2N3O4 and a molecular weight of 479.96 g/mol. Its IUPAC name is 2-(4-chloro-2,3,5,6-tetradeuteriophenyl)-N-deuterio-N-[dideuterio-[3,3,4,6,7-pentadeuterio-2-(1,3,4,4,5,5-hexadeuterio-2,6-dioxopiperidin-3-yl)-1-oxoisoindol-5-yl]methyl]-2,2-difluoroacetamide.

Molecular Properties

Compound Name2-(4-chloro-2,3,5,6-tetradeuteriophenyl)-N-deuterio-N-[dideuterio-[3,3,4,6,7-pentadeuterio-2-(1,3,4,4,5,5-hexadeuterio-2,6-dioxopiperidin-3-yl)-1-oxoisoindol-5-yl]methyl]-2,2-difluoroacetamide
PubChem CID156629122
Molecular FormulaC22H18ClF2N3O4
Molecular Weight479.96 g/mol
Exact Mass479.21
IUPAC Name2-(4-chloro-2,3,5,6-tetradeuteriophenyl)-N-deuterio-N-[dideuterio-[3,3,4,6,7-pentadeuterio-2-(1,3,4,4,5,5-hexadeuterio-2,6-dioxopiperidin-3-yl)-1-oxoisoindol-5-yl]methyl]-2,2-difluoroacetamide
SMILES[2H]c1c([2H])c(C(F)(F)C(=O)N([2H])C([2H])([2H])c2c([2H])c([2H])c3c(c2[2H])C([2H])([2H])N(C2([2H])C(=O)N([2H])C(=O)C([2H])([2H])C2([2H])[2H])C3=O)c([2H])c([2H])c1Cl
InChIInChI=1S/C22H18ClF2N3O4/c23-15-4-2-14(3-5-15)22(24,25)21(32)26-10-12-1-6-16-13(9-12)11-28(20(16)31)17-7-8-18(29)27-19(17)30/h1-6,9,17H,7-8,10-11H2,(H,26,32)(H,27,29,30)/i1D,2D,3D,4D,5D,6D,7D2,8D2,9D,10D2,11D2,17D/hD2
InChIKeyPWBHUSLMHZLGRN-NTLNLUKHSA-N
XLogP2.51
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.96
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4-chloro-2,3,5,6-tetradeuteriophenyl)-N-deuterio-N-[dideuterio-[3,3,4,6,7-pentadeuterio-2-(1,3,4,4,5,5-hexadeuterio-2,6-dioxopiperidin-3-yl)-1-oxoisoindol-5-yl]methyl]-2,2-difluoroacetamide with MolForge

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Related Compounds

2-(4-chloro-2,3,5,6-tetradeuteriophenyl)-N-deuterio-N-[dideuterio-[3,3,4,6,7-pentadeuterio-2-(2,6-dioxopiperidin-3-yl)-1-oxoisoindol-5-yl]methyl]-2,2-difluoroacetamide
CID 156629089
2-(4-chlorophenyl)-N-deuterio-N-[dideuterio-[3,3,4,6,7-pentadeuterio-2-(2,6-dioxopiperidin-3-yl)-1-oxoisoindol-5-yl]methyl]-2,2-difluoroacetamide
CID 156629209
2-(4-chlorophenyl)-N-deuterio-2,2-difluoro-N-[[3,3,4-trideuterio-2-(2,6-dioxopiperidin-3-yl)-1-oxoisoindol-5-yl]methyl]acetamide
CID 156629225
2-(4-chlorophenyl)-N-deuterio-2,2-difluoro-N-[[1-oxo-2-[(3R)-3,4,4,5,5-pentadeuterio-2,6-dioxopiperidin-3-yl]-3H-isoindol-5-yl]methyl]acetamide
CID 156628900
2-(4-chlorophenyl)-N-deuterio-2,2-difluoro-N-[[1-oxo-2-(1,3,4-trideuterio-2,6-dioxopiperidin-3-yl)-3H-isoindol-5-yl]methyl]acetamide
CID 156629144
2-(4-chlorophenyl)-N-deuterio-N-[deuterio-[1-oxo-2-(1,5,5-trideuterio-2,6-dioxopiperidin-3-yl)-3H-isoindol-5-yl]methyl]-2,2-difluoroacetamide
CID 156629088
2-(4-chlorophenyl)-N-deuterio-N-[deuterio-[1-oxo-2-(1,4,4,5-tetradeuterio-2,6-dioxopiperidin-3-yl)-3H-isoindol-5-yl]methyl]-2,2-difluoroacetamide
CID 156628933
2-(4-chlorophenyl)-N-deuterio-N-[deuterio-[4,6-dideuterio-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-2,2-difluoroacetamide
CID 156629058
2-(4-chlorophenyl)-N-deuterio-N-[[3,3-dideuterio-2-(2,6-dioxopiperidin-3-yl)-1-oxoisoindol-5-yl]methyl]-2,2-difluoroacetamide
CID 156628905
2-(4-chlorophenyl)-N-deuterio-N-[[4,6-dideuterio-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-2,2-difluoroacetamide
CID 156629164
2-(4-chlorophenyl)-N-deuterio-N-[[2-[(3R)-3,5-dideuterio-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]methyl]-2,2-difluoroacetamide
CID 156629053
3-[6-[4-(4-chlorophenyl)-1-deuterio-4,4-difluoro-3-oxobutyl]-1,4,5,7-tetradeuterio-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 159983349

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2,3,5,6-tetradeuteriophenyl)-N-deuterio-N-[dideuterio-[3,3,4,6,7-pentadeuterio-2-(1,3,4,4,5,5-hexadeuterio-2,6-dioxopiperidin-3-yl)-1-oxoisoindol-5-yl]methyl]-2,2-difluoroacetamide?
The IUPAC name of 2-(4-chloro-2,3,5,6-tetradeuteriophenyl)-N-deuterio-N-[dideuterio-[3,3,4,6,7-pentadeuterio-2-(1,3,4,4,5,5-hexadeuterio-2,6-dioxopiperidin-3-yl)-1-oxoisoindol-5-yl]methyl]-2,2-difluoroacetamide (CID 156629122) is 2-(4-chloro-2,3,5,6-tetradeuteriophenyl)-N-deuterio-N-[dideuterio-[3,3,4,6,7-pentadeuterio-2-(1,3,4,4,5,5-hexadeuterio-2,6-dioxopiperidin-3-yl)-1-oxoisoindol-5-yl]methyl]-2,2-difluoroacetamide.
What is the SMILES notation for 2-(4-chloro-2,3,5,6-tetradeuteriophenyl)-N-deuterio-N-[dideuterio-[3,3,4,6,7-pentadeuterio-2-(1,3,4,4,5,5-hexadeuterio-2,6-dioxopiperidin-3-yl)-1-oxoisoindol-5-yl]methyl]-2,2-difluoroacetamide?
The canonical SMILES for 2-(4-chloro-2,3,5,6-tetradeuteriophenyl)-N-deuterio-N-[dideuterio-[3,3,4,6,7-pentadeuterio-2-(1,3,4,4,5,5-hexadeuterio-2,6-dioxopiperidin-3-yl)-1-oxoisoindol-5-yl]methyl]-2,2-difluoroacetamide is [2H]c1c([2H])c(C(F)(F)C(=O)N([2H])C([2H])([2H])c2c([2H])c([2H])c3c(c2[2H])C([2H])([2H])N(C2([2H])C(=O)N([2H])C(=O)C([2H])([2H])C2([2H])[2H])C3=O)c([2H])c([2H])c1Cl.
What is the InChIKey of 2-(4-chloro-2,3,5,6-tetradeuteriophenyl)-N-deuterio-N-[dideuterio-[3,3,4,6,7-pentadeuterio-2-(1,3,4,4,5,5-hexadeuterio-2,6-dioxopiperidin-3-yl)-1-oxoisoindol-5-yl]methyl]-2,2-difluoroacetamide?
The InChIKey is PWBHUSLMHZLGRN-NTLNLUKHSA-N. The full InChI is InChI=1S/C22H18ClF2N3O4/c23-15-4-2-14(3-5-15)22(24,25)21(32)26-10-12-1-6-16-13(9-12)11-28(20(16)31)17-7-8-18(29)27-19(17)30/h1-6,9,17H,7-8,10-11H2,(H,26,32)(H,27,29,30)/i1D,2D,3D,4D,5D,6D,7D2,8D2,9D,10D2,11D2,17D/hD2.
What are the key properties of 2-(4-chloro-2,3,5,6-tetradeuteriophenyl)-N-deuterio-N-[dideuterio-[3,3,4,6,7-pentadeuterio-2-(1,3,4,4,5,5-hexadeuterio-2,6-dioxopiperidin-3-yl)-1-oxoisoindol-5-yl]methyl]-2,2-difluoroacetamide?
2-(4-chloro-2,3,5,6-tetradeuteriophenyl)-N-deuterio-N-[dideuterio-[3,3,4,6,7-pentadeuterio-2-(1,3,4,4,5,5-hexadeuterio-2,6-dioxopiperidin-3-yl)-1-oxoisoindol-5-yl]methyl]-2,2-difluoroacetamide has a molecular weight of 479.96 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2,3,5,6-tetradeuteriophenyl)-N-deuterio-N-[dideuterio-[3,3,4,6,7-pentadeuterio-2-(1,3,4,4,5,5-hexadeuterio-2,6-dioxopiperidin-3-yl)-1-oxoisoindol-5-yl]methyl]-2,2-difluoroacetamide is sourced from PubChem (CID 156629122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).