2-[3-(2-chlorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(5-methylpyrazolidin-3-yl)methyl]acetamide

C21H29ClN4O4 — CID 74498065

IUPAC2-[3-(2-chlorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(5-methylpyrazolidin-3-yl)methyl]acetamide
SMILESCOCCN1C(=O)CC(CC(=O)N(C)CC2CC(C)NN2)(c2ccccc2Cl)C1=O
InChIInChI=1S/C21H29ClN4O4/c1-14-10-15(24-23-14)13-25(2)18(27)11-21(16-6-4-5-7-17(16)22)12-19(28)26(20(21)29)8-9-30-3/h4-7,14-15,23-24H,8-13H2,1-3H3
InChIKeyWQXWOINCTCJLAU-UHFFFAOYSA-N
MW436.94 g/mol
LogP1.09
Rot. Bonds8

About 2-[3-(2-chlorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(5-methylpyrazolidin-3-yl)methyl]acetamide

2-[3-(2-chlorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(5-methylpyrazolidin-3-yl)methyl]acetamide (PubChem CID 74498065) has the molecular formula C21H29ClN4O4 and a molecular weight of 436.94 g/mol. Its IUPAC name is 2-[3-(2-chlorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(5-methylpyrazolidin-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[3-(2-chlorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(5-methylpyrazolidin-3-yl)methyl]acetamide
PubChem CID74498065
Molecular FormulaC21H29ClN4O4
Molecular Weight436.94 g/mol
Exact Mass436.19
IUPAC Name2-[3-(2-chlorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(5-methylpyrazolidin-3-yl)methyl]acetamide
SMILESCOCCN1C(=O)CC(CC(=O)N(C)CC2CC(C)NN2)(c2ccccc2Cl)C1=O
InChIInChI=1S/C21H29ClN4O4/c1-14-10-15(24-23-14)13-25(2)18(27)11-21(16-6-4-5-7-17(16)22)12-19(28)26(20(21)29)8-9-30-3/h4-7,14-15,23-24H,8-13H2,1-3H3
InChIKeyWQXWOINCTCJLAU-UHFFFAOYSA-N
XLogP1.09
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.94
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(5-propylpyrazolidin-3-yl)methyl]acetamide
CID 74780839
2-[3-(2-chlorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(naphthalen-1-ylmethyl)acetamide
CID 45227178
2-[(3S)-3-(2-chlorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)acetamide
CID 125157100
2-[3-(2-chlorophenyl)-1-(3-methoxypropyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 45184895
2-[(3R)-3-(2-chlorophenyl)-1-(3-methoxypropyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 26283222
3-[2-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)-2-oxoethyl]-3-(2-chlorophenyl)-1-(2-methoxyethyl)pyrrolidine-2,5-dione
CID 45223495
(3S)-3-[2-[(1R,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-3-(2-chlorophenyl)-1-(2-methoxyethyl)pyrrolidine-2,5-dione
CID 98260751
2-[(3S)-3-(2-chlorophenyl)-1-(3-methoxypropyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(3S)-oxolan-3-yl]acetamide
CID 42456455
N-benzyl-2-[(3R)-1-(2-methoxyethyl)-3-(2-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide
CID 42162480
3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-3-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 45196529
(3R)-3-(2-chlorophenyl)-3-[2-[4-[(1S)-1-hydroxypropyl]piperidin-1-yl]-2-oxoethyl]-1-(2-methoxyethyl)pyrrolidine-2,5-dione
CID 42380968
(3S)-3-(2-chlorophenyl)-1-(2-methoxyethyl)-3-[2-oxo-2-(4-thiomorpholin-4-ylpiperidin-1-yl)ethyl]pyrrolidine-2,5-dione
CID 25365284

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-chlorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(5-methylpyrazolidin-3-yl)methyl]acetamide?
The IUPAC name of 2-[3-(2-chlorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(5-methylpyrazolidin-3-yl)methyl]acetamide (CID 74498065) is 2-[3-(2-chlorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(5-methylpyrazolidin-3-yl)methyl]acetamide.
What is the SMILES notation for 2-[3-(2-chlorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(5-methylpyrazolidin-3-yl)methyl]acetamide?
The canonical SMILES for 2-[3-(2-chlorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(5-methylpyrazolidin-3-yl)methyl]acetamide is COCCN1C(=O)CC(CC(=O)N(C)CC2CC(C)NN2)(c2ccccc2Cl)C1=O.
What is the InChIKey of 2-[3-(2-chlorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(5-methylpyrazolidin-3-yl)methyl]acetamide?
The InChIKey is WQXWOINCTCJLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29ClN4O4/c1-14-10-15(24-23-14)13-25(2)18(27)11-21(16-6-4-5-7-17(16)22)12-19(28)26(20(21)29)8-9-30-3/h4-7,14-15,23-24H,8-13H2,1-3H3.
What are the key properties of 2-[3-(2-chlorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(5-methylpyrazolidin-3-yl)methyl]acetamide?
2-[3-(2-chlorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(5-methylpyrazolidin-3-yl)methyl]acetamide has a molecular weight of 436.94 g/mol, XLogP of 1.09, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-chlorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(5-methylpyrazolidin-3-yl)methyl]acetamide is sourced from PubChem (CID 74498065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).