N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methyl-N-(2-methylbutan-2-yl)benzamide

C23H25ClN2O3 — CID 23745389

IUPACN-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methyl-N-(2-methylbutan-2-yl)benzamide
SMILESCCC(C)(C)N(C(=O)c1cccc(C)c1)C1CC(=O)N(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C23H25ClN2O3/c1-5-23(3,4)26(21(28)16-8-6-7-15(2)13-16)19-14-20(27)25(22(19)29)18-11-9-17(24)10-12-18/h6-13,19H,5,14H2,1-4H3
InChIKeyZRZMYZSFJMQYNS-UHFFFAOYSA-N
MW412.92 g/mol
LogP4.61
Rot. Bonds5

About N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methyl-N-(2-methylbutan-2-yl)benzamide

N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methyl-N-(2-methylbutan-2-yl)benzamide (PubChem CID 23745389) has the molecular formula C23H25ClN2O3 and a molecular weight of 412.92 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methyl-N-(2-methylbutan-2-yl)benzamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methyl-N-(2-methylbutan-2-yl)benzamide
PubChem CID23745389
Molecular FormulaC23H25ClN2O3
Molecular Weight412.92 g/mol
Exact Mass412.16
IUPAC NameN-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methyl-N-(2-methylbutan-2-yl)benzamide
SMILESCCC(C)(C)N(C(=O)c1cccc(C)c1)C1CC(=O)N(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C23H25ClN2O3/c1-5-23(3,4)26(21(28)16-8-6-7-15(2)13-16)19-14-20(27)25(22(19)29)18-11-9-17(24)10-12-18/h6-13,19H,5,14H2,1-4H3
InChIKeyZRZMYZSFJMQYNS-UHFFFAOYSA-N
XLogP4.61
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.92
LogP ≤ 54.61
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

4-chloro-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-methylbutan-2-yl)-3-nitrobenzamide
CID 23916406
2-fluoro-N-(2-methylbutan-2-yl)-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzamide
CID 23972507
N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 23745386
4-methoxy-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-methylbutan-2-yl)benzamide
CID 23832270
2-fluoro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-methylbutan-2-yl)benzamide
CID 23916507
N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-3,4-dimethoxy-N-(2-methylbutan-2-yl)benzamide
CID 23916425
ethyl 4-[3-[(4-chloro-3-nitrobenzoyl)-(2-methylbutan-2-yl)amino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 23860639
N-butan-2-yl-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-3-methylbenzamide
CID 23774559
4-chloro-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-methylbutan-2-yl)-3-nitrobenzamide
CID 23972404
N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(3-chlorophenyl)ethyl]-4-methylbenzamide
CID 23803625
N-[1-[4-(1,3-benzoxazol-2-yl)phenyl]-2,5-dioxopyrrolidin-3-yl]-N-tert-butyl-3-methylbenzamide
CID 23774560
N-[2-(3-chlorophenyl)ethyl]-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-3-methylbenzamide
CID 25036525

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methyl-N-(2-methylbutan-2-yl)benzamide?
The IUPAC name of N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methyl-N-(2-methylbutan-2-yl)benzamide (CID 23745389) is N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methyl-N-(2-methylbutan-2-yl)benzamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methyl-N-(2-methylbutan-2-yl)benzamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methyl-N-(2-methylbutan-2-yl)benzamide is CCC(C)(C)N(C(=O)c1cccc(C)c1)C1CC(=O)N(c2ccc(Cl)cc2)C1=O.
What is the InChIKey of N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methyl-N-(2-methylbutan-2-yl)benzamide?
The InChIKey is ZRZMYZSFJMQYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O3/c1-5-23(3,4)26(21(28)16-8-6-7-15(2)13-16)19-14-20(27)25(22(19)29)18-11-9-17(24)10-12-18/h6-13,19H,5,14H2,1-4H3.
What are the key properties of N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methyl-N-(2-methylbutan-2-yl)benzamide?
N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methyl-N-(2-methylbutan-2-yl)benzamide has a molecular weight of 412.92 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methyl-N-(2-methylbutan-2-yl)benzamide is sourced from PubChem (CID 23745389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).