4-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]-N-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzamide

C23H20Cl2N2O4 — CID 2968891

IUPAC4-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]-N-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzamide
SMILESO=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)C2CCCCC2C1=O)c1ccc(Cl)cc1
InChIInChI=1S/C23H20Cl2N2O4/c24-16-9-5-14(6-10-16)20(28)13-26(21(29)15-7-11-17(25)12-8-15)27-22(30)18-3-1-2-4-19(18)23(27)31/h5-12,18-19H,1-4,13H2
InChIKeyGUDOCTUJKUKRJB-UHFFFAOYSA-N
MW459.33 g/mol
LogP4.41
Rot. Bonds5

About 4-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]-N-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzamide

4-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]-N-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzamide (PubChem CID 2968891) has the molecular formula C23H20Cl2N2O4 and a molecular weight of 459.33 g/mol. Its IUPAC name is 4-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]-N-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]-N-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzamide
PubChem CID2968891
Molecular FormulaC23H20Cl2N2O4
Molecular Weight459.33 g/mol
Exact Mass458.08
IUPAC Name4-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]-N-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzamide
SMILESO=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)C2CCCCC2C1=O)c1ccc(Cl)cc1
InChIInChI=1S/C23H20Cl2N2O4/c24-16-9-5-14(6-10-16)20(28)13-26(21(29)15-7-11-17(25)12-8-15)27-22(30)18-3-1-2-4-19(18)23(27)31/h5-12,18-19H,1-4,13H2
InChIKeyGUDOCTUJKUKRJB-UHFFFAOYSA-N
XLogP4.41
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.33
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]-N-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzamide?
The IUPAC name of 4-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]-N-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzamide (CID 2968891) is 4-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]-N-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzamide.
What is the SMILES notation for 4-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]-N-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzamide?
The canonical SMILES for 4-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]-N-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzamide is O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)C2CCCCC2C1=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]-N-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzamide?
The InChIKey is GUDOCTUJKUKRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N2O4/c24-16-9-5-14(6-10-16)20(28)13-26(21(29)15-7-11-17(25)12-8-15)27-22(30)18-3-1-2-4-19(18)23(27)31/h5-12,18-19H,1-4,13H2.
What are the key properties of 4-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]-N-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzamide?
4-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]-N-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzamide has a molecular weight of 459.33 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]-N-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzamide is sourced from PubChem (CID 2968891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).