2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide

C22H20Cl2N4O4 — CID 55682272

IUPAC2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
SMILESCN1C(=O)c2ccc(NC(=O)CN3CCN(C(=O)c4ccc(Cl)cc4Cl)CC3)cc2C1=O
InChIInChI=1S/C22H20Cl2N4O4/c1-26-20(30)15-5-3-14(11-17(15)21(26)31)25-19(29)12-27-6-8-28(9-7-27)22(32)16-4-2-13(23)10-18(16)24/h2-5,10-11H,6-9,12H2,1H3,(H,25,29)
InChIKeyHICCXTUUOWDSQO-UHFFFAOYSA-N
MW475.33 g/mol
LogP2.62
Rot. Bonds4

About 2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide

2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide (PubChem CID 55682272) has the molecular formula C22H20Cl2N4O4 and a molecular weight of 475.33 g/mol. Its IUPAC name is 2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide.

Molecular Properties

Compound Name2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
PubChem CID55682272
Molecular FormulaC22H20Cl2N4O4
Molecular Weight475.33 g/mol
Exact Mass474.09
IUPAC Name2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
SMILESCN1C(=O)c2ccc(NC(=O)CN3CCN(C(=O)c4ccc(Cl)cc4Cl)CC3)cc2C1=O
InChIInChI=1S/C22H20Cl2N4O4/c1-26-20(30)15-5-3-14(11-17(15)21(26)31)25-19(29)12-27-6-8-28(9-7-27)22(32)16-4-2-13(23)10-18(16)24/h2-5,10-11H,6-9,12H2,1H3,(H,25,29)
InChIKeyHICCXTUUOWDSQO-UHFFFAOYSA-N
XLogP2.62
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.33
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide
CID 37446575
2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 27849985
2-[4-(2,5-dichlorobenzoyl)piperazin-1-yl]-N-phenylacetamide
CID 34432845
2-(4-aminopiperidin-1-yl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 119908193
2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(2,4-dimethoxyphenyl)acetamide
CID 37445813
2-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 55837853
2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide
CID 8904218
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide;hydrochloride
CID 120775993
2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide
CID 55682200
2-[4-(5-chloro-2-hydroxybenzoyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 31333414
(2,4-dichlorophenyl)-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 52541764
2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide
CID 37446914

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide?
The IUPAC name of 2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide (CID 55682272) is 2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide.
What is the SMILES notation for 2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide?
The canonical SMILES for 2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide is CN1C(=O)c2ccc(NC(=O)CN3CCN(C(=O)c4ccc(Cl)cc4Cl)CC3)cc2C1=O.
What is the InChIKey of 2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide?
The InChIKey is HICCXTUUOWDSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N4O4/c1-26-20(30)15-5-3-14(11-17(15)21(26)31)25-19(29)12-27-6-8-28(9-7-27)22(32)16-4-2-13(23)10-18(16)24/h2-5,10-11H,6-9,12H2,1H3,(H,25,29).
What are the key properties of 2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide?
2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide has a molecular weight of 475.33 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide is sourced from PubChem (CID 55682272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).