N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-tert-butylacetamide

C16H19BrN2O3 — CID 23942980

IUPACN-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-tert-butylacetamide
SMILESCC(=O)N(C1CC(=O)N(c2ccc(Br)cc2)C1=O)C(C)(C)C
InChIInChI=1S/C16H19BrN2O3/c1-10(20)19(16(2,3)4)13-9-14(21)18(15(13)22)12-7-5-11(17)6-8-12/h5-8,13H,9H2,1-4H3
InChIKeyYAGDYOYSTGYLBD-UHFFFAOYSA-N
MW367.24 g/mol
LogP2.73
Rot. Bonds2

About N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-tert-butylacetamide

N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-tert-butylacetamide (PubChem CID 23942980) has the molecular formula C16H19BrN2O3 and a molecular weight of 367.24 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-tert-butylacetamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-tert-butylacetamide
PubChem CID23942980
Molecular FormulaC16H19BrN2O3
Molecular Weight367.24 g/mol
Exact Mass366.06
IUPAC NameN-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-tert-butylacetamide
SMILESCC(=O)N(C1CC(=O)N(c2ccc(Br)cc2)C1=O)C(C)(C)C
InChIInChI=1S/C16H19BrN2O3/c1-10(20)19(16(2,3)4)13-9-14(21)18(15(13)22)12-7-5-11(17)6-8-12/h5-8,13H,9H2,1-4H3
InChIKeyYAGDYOYSTGYLBD-UHFFFAOYSA-N
XLogP2.73
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.24
LogP ≤ 52.73
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-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-tert-butylcyclohexanecarboxamide
CID 23830977
1-(4-bromophenyl)-3-[[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-hydroxyamino]pyrrolidine-2,5-dione
CID 3777582
N-tert-butyl-2-(4-chlorophenyl)-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
CID 23970972
N-[(3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(2R)-2-hydroxy-2-phenylethyl]acetamide
CID 1258880
[4-[3-[tert-butyl-(4-fluorobenzoyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl] acetate
CID 23745281
N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopropylcyclopropanecarboxamide
CID 23859194
N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopentylbutanamide
CID 23915156
N-tert-butyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3,3-dimethylbutanamide
CID 23743864
N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-N-tert-butyl-2-phenoxyacetamide
CID 23830896
N-tert-butyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-3,3-dimethylbutanamide
CID 25045753
N-tert-butyl-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]furan-2-carboxamide
CID 23859372
ethyl 4-[3-[butanoyl(tert-butyl)amino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 23998883

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-tert-butylacetamide?
The IUPAC name of N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-tert-butylacetamide (CID 23942980) is N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-tert-butylacetamide.
What is the SMILES notation for N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-tert-butylacetamide?
The canonical SMILES for N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-tert-butylacetamide is CC(=O)N(C1CC(=O)N(c2ccc(Br)cc2)C1=O)C(C)(C)C.
What is the InChIKey of N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-tert-butylacetamide?
The InChIKey is YAGDYOYSTGYLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O3/c1-10(20)19(16(2,3)4)13-9-14(21)18(15(13)22)12-7-5-11(17)6-8-12/h5-8,13H,9H2,1-4H3.
What are the key properties of N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-tert-butylacetamide?
N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-tert-butylacetamide has a molecular weight of 367.24 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-tert-butylacetamide is sourced from PubChem (CID 23942980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).