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

C27H26ClN3O6 — CID 166428822

IUPACN-[[1-(3-chlorophenyl)cyclopentyl]methyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyacetamide
SMILESO=C(COc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O)NCC1(c2cccc(Cl)c2)CCCC1
InChIInChI=1S/C27H26ClN3O6/c28-17-5-3-4-16(12-17)27(10-1-2-11-27)15-29-23(33)14-37-18-6-7-19-20(13-18)26(36)31(25(19)35)21-8-9-22(32)30-24(21)34/h3-7,12-13,21H,1-2,8-11,14-15H2,(H,29,33)(H,30,32,34)
InChIKeyHVCSPBZHNKFRTR-UHFFFAOYSA-N
MW523.97 g/mol
LogP2.75
Rot. Bonds7

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

N-[[1-(3-chlorophenyl)cyclopentyl]methyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyacetamide (PubChem CID 166428822) has the molecular formula C27H26ClN3O6 and a molecular weight of 523.97 g/mol. Its IUPAC name is N-[[1-(3-chlorophenyl)cyclopentyl]methyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyacetamide.

Molecular Properties

Compound NameN-[[1-(3-chlorophenyl)cyclopentyl]methyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyacetamide
PubChem CID166428822
Molecular FormulaC27H26ClN3O6
Molecular Weight523.97 g/mol
Exact Mass523.15
IUPAC NameN-[[1-(3-chlorophenyl)cyclopentyl]methyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyacetamide
SMILESO=C(COc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O)NCC1(c2cccc(Cl)c2)CCCC1
InChIInChI=1S/C27H26ClN3O6/c28-17-5-3-4-16(12-17)27(10-1-2-11-27)15-29-23(33)14-37-18-6-7-19-20(13-18)26(36)31(25(19)35)21-8-9-22(32)30-24(21)34/h3-7,12-13,21H,1-2,8-11,14-15H2,(H,29,33)(H,30,32,34)
InChIKeyHVCSPBZHNKFRTR-UHFFFAOYSA-N
XLogP2.75
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.97
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[[1-(3-chlorophenyl)cyclopentyl]methyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-chlorophenyl)cyclopentyl]methyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyacetamide?
The IUPAC name of N-[[1-(3-chlorophenyl)cyclopentyl]methyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyacetamide (CID 166428822) is N-[[1-(3-chlorophenyl)cyclopentyl]methyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyacetamide.
What is the SMILES notation for N-[[1-(3-chlorophenyl)cyclopentyl]methyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyacetamide?
The canonical SMILES for N-[[1-(3-chlorophenyl)cyclopentyl]methyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyacetamide is O=C(COc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O)NCC1(c2cccc(Cl)c2)CCCC1.
What is the InChIKey of N-[[1-(3-chlorophenyl)cyclopentyl]methyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyacetamide?
The InChIKey is HVCSPBZHNKFRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClN3O6/c28-17-5-3-4-16(12-17)27(10-1-2-11-27)15-29-23(33)14-37-18-6-7-19-20(13-18)26(36)31(25(19)35)21-8-9-22(32)30-24(21)34/h3-7,12-13,21H,1-2,8-11,14-15H2,(H,29,33)(H,30,32,34).
What are the key properties of N-[[1-(3-chlorophenyl)cyclopentyl]methyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyacetamide?
N-[[1-(3-chlorophenyl)cyclopentyl]methyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyacetamide has a molecular weight of 523.97 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-chlorophenyl)cyclopentyl]methyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyacetamide is sourced from PubChem (CID 166428822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).