2-(2-chlorophenyl)-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-methylpropanamide

C23H20ClN3O5 — CID 166426870

IUPAC2-(2-chlorophenyl)-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-methylpropanamide
SMILESCC(C)(C(=O)Nc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O)c1ccccc1Cl
InChIInChI=1S/C23H20ClN3O5/c1-23(2,15-5-3-4-6-16(15)24)22(32)25-12-7-8-13-14(11-12)21(31)27(20(13)30)17-9-10-18(28)26-19(17)29/h3-8,11,17H,9-10H2,1-2H3,(H,25,32)(H,26,28,29)
InChIKeyITURSFCCQXIHII-UHFFFAOYSA-N
MW453.88 g/mol
LogP2.66
Rot. Bonds4

About 2-(2-chlorophenyl)-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-methylpropanamide

2-(2-chlorophenyl)-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-methylpropanamide (PubChem CID 166426870) has the molecular formula C23H20ClN3O5 and a molecular weight of 453.88 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-methylpropanamide
PubChem CID166426870
Molecular FormulaC23H20ClN3O5
Molecular Weight453.88 g/mol
Exact Mass453.11
IUPAC Name2-(2-chlorophenyl)-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-methylpropanamide
SMILESCC(C)(C(=O)Nc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O)c1ccccc1Cl
InChIInChI=1S/C23H20ClN3O5/c1-23(2,15-5-3-4-6-16(15)24)22(32)25-12-7-8-13-14(11-12)21(31)27(20(13)30)17-9-10-18(28)26-19(17)29/h3-8,11,17H,9-10H2,1-2H3,(H,25,32)(H,26,28,29)
InChIKeyITURSFCCQXIHII-UHFFFAOYSA-N
XLogP2.66
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.88
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-methyl-2-thiophen-2-ylpropanamide
CID 166426864
aniline;N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]acetamide
CID 159636176
N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]butanamide
CID 163906697
N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]prop-2-enamide
CID 121448709
2-(2,6-dioxopiperidin-3-yl)-5-(methylamino)isoindole-1,3-dione;ethane
CID 166535785
1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3-[2-(3-methylphenyl)propan-2-yl]urea
CID 176565051
methyl 4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]carbamoyl]cubane-1-carboxylate
CID 171393695
2-(2,6-dioxopiperidin-3-yl)-5-[(2-oxo-2-piperidin-1-ylethyl)amino]isoindole-1,3-dione
CID 175943061
3-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]methyl]cyclobutane-1-carboxylic acid
CID 175333441
2-tert-butyl-N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]benzamide
CID 142761599
tert-butyl N-[(2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]propyl]carbamate
CID 142367921
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-methylpropanamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-methylpropanamide (CID 166426870) is 2-(2-chlorophenyl)-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-methylpropanamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-methylpropanamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-methylpropanamide is CC(C)(C(=O)Nc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-methylpropanamide?
The InChIKey is ITURSFCCQXIHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O5/c1-23(2,15-5-3-4-6-16(15)24)22(32)25-12-7-8-13-14(11-12)21(31)27(20(13)30)17-9-10-18(28)26-19(17)29/h3-8,11,17H,9-10H2,1-2H3,(H,25,32)(H,26,28,29).
What are the key properties of 2-(2-chlorophenyl)-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-methylpropanamide?
2-(2-chlorophenyl)-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-methylpropanamide has a molecular weight of 453.88 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-methylpropanamide is sourced from PubChem (CID 166426870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).