N-tert-butyl-2-(4-chlorophenyl)-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]acetamide

C22H22Cl2N2O3 — CID 23970972

IUPACN-tert-butyl-2-(4-chlorophenyl)-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
SMILESCC(C)(C)N(C(=O)Cc1ccc(Cl)cc1)C1CC(=O)N(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C22H22Cl2N2O3/c1-22(2,3)26(20(28)12-14-4-6-15(23)7-5-14)18-13-19(27)25(21(18)29)17-10-8-16(24)9-11-17/h4-11,18H,12-13H2,1-3H3
InChIKeyAFOHRWQDYOWRDY-UHFFFAOYSA-N
MW433.34 g/mol
LogP4.50
Rot. Bonds4

About N-tert-butyl-2-(4-chlorophenyl)-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]acetamide

N-tert-butyl-2-(4-chlorophenyl)-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]acetamide (PubChem CID 23970972) has the molecular formula C22H22Cl2N2O3 and a molecular weight of 433.34 g/mol. Its IUPAC name is N-tert-butyl-2-(4-chlorophenyl)-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(4-chlorophenyl)-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
PubChem CID23970972
Molecular FormulaC22H22Cl2N2O3
Molecular Weight433.34 g/mol
Exact Mass432.10
IUPAC NameN-tert-butyl-2-(4-chlorophenyl)-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
SMILESCC(C)(C)N(C(=O)Cc1ccc(Cl)cc1)C1CC(=O)N(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C22H22Cl2N2O3/c1-22(2,3)26(20(28)12-14-4-6-15(23)7-5-14)18-13-19(27)25(21(18)29)17-10-8-16(24)9-11-17/h4-11,18H,12-13H2,1-3H3
InChIKeyAFOHRWQDYOWRDY-UHFFFAOYSA-N
XLogP4.50
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.34
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-2-(4-chlorophenyl)-N-cyclopropylacetamide
CID 23915088
methyl 4-[3-[[2-(4-chlorophenyl)acetyl]-cyclohexylamino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 23943003
2-(4-chlorophenyl)-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)acetamide
CID 23998801
[4-[3-[[2-(4-chlorophenyl)acetyl]-cyclohexylamino]-2,5-dioxopyrrolidin-1-yl]phenyl] acetate
CID 23830853
2-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
CID 23802080
N-tert-butyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3,3-dimethylbutanamide
CID 23743864
methyl 2-[[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-methylamino]acetate
CID 2937026
N-tert-butyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-3,3-dimethylbutanamide
CID 25045753
2-(4-chlorophenyl)-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 23802075
N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-tert-butylacetamide
CID 23942980
ethyl 4-[3-[butanoyl(tert-butyl)amino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 23998883
2-(4-chlorophenyl)-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 23970967

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(4-chlorophenyl)-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]acetamide?
The IUPAC name of N-tert-butyl-2-(4-chlorophenyl)-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]acetamide (CID 23970972) is N-tert-butyl-2-(4-chlorophenyl)-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-tert-butyl-2-(4-chlorophenyl)-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]acetamide?
The canonical SMILES for N-tert-butyl-2-(4-chlorophenyl)-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]acetamide is CC(C)(C)N(C(=O)Cc1ccc(Cl)cc1)C1CC(=O)N(c2ccc(Cl)cc2)C1=O.
What is the InChIKey of N-tert-butyl-2-(4-chlorophenyl)-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]acetamide?
The InChIKey is AFOHRWQDYOWRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl2N2O3/c1-22(2,3)26(20(28)12-14-4-6-15(23)7-5-14)18-13-19(27)25(21(18)29)17-10-8-16(24)9-11-17/h4-11,18H,12-13H2,1-3H3.
What are the key properties of N-tert-butyl-2-(4-chlorophenyl)-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]acetamide?
N-tert-butyl-2-(4-chlorophenyl)-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]acetamide has a molecular weight of 433.34 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(4-chlorophenyl)-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]acetamide is sourced from PubChem (CID 23970972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).