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

C19H23BrN2O3 — CID 23915156

IUPACN-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopentylbutanamide
SMILESCCCC(=O)N(C1CCCC1)C1CC(=O)N(c2ccc(Br)cc2)C1=O
InChIInChI=1S/C19H23BrN2O3/c1-2-5-17(23)21(14-6-3-4-7-14)16-12-18(24)22(19(16)25)15-10-8-13(20)9-11-15/h8-11,14,16H,2-7,12H2,1H3
InChIKeyZACMYXXVZYWZLR-UHFFFAOYSA-N
MW407.31 g/mol
LogP3.65
Rot. Bonds5

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

N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopentylbutanamide (PubChem CID 23915156) has the molecular formula C19H23BrN2O3 and a molecular weight of 407.31 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopentylbutanamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopentylbutanamide
PubChem CID23915156
Molecular FormulaC19H23BrN2O3
Molecular Weight407.31 g/mol
Exact Mass406.09
IUPAC NameN-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopentylbutanamide
SMILESCCCC(=O)N(C1CCCC1)C1CC(=O)N(c2ccc(Br)cc2)C1=O
InChIInChI=1S/C19H23BrN2O3/c1-2-5-17(23)21(14-6-3-4-7-14)16-12-18(24)22(19(16)25)15-10-8-13(20)9-11-15/h8-11,14,16H,2-7,12H2,1H3
InChIKeyZACMYXXVZYWZLR-UHFFFAOYSA-N
XLogP3.65
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.31
LogP ≤ 53.65
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-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopropylbutanamide
CID 23915154
N-cyclopropyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]butanamide
CID 25045748
N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cycloheptyl-4-methylbenzamide
CID 23944596
N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclohexyl-4-methylbenzamide
CID 23832421
N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopropylcyclopropanecarboxamide
CID 23859194
2-chloro-N-cyclohexyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
CID 91691056
N-cycloheptyl-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-3,3-dimethylbutanamide
CID 23802159
N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cycloheptylfuran-2-carboxamide
CID 23802210
N-[1-[4-(1,3-benzoxazol-2-yl)phenyl]-2,5-dioxopyrrolidin-3-yl]-N-cyclopropylbutanamide
CID 23943070
N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-tert-butylcyclohexanecarboxamide
CID 23830977
N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclohexyl-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetamide
CID 23861158
N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclohexylacetamide
CID 23830804

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopentylbutanamide?
The IUPAC name of N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopentylbutanamide (CID 23915156) is N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopentylbutanamide.
What is the SMILES notation for N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopentylbutanamide?
The canonical SMILES for N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopentylbutanamide is CCCC(=O)N(C1CCCC1)C1CC(=O)N(c2ccc(Br)cc2)C1=O.
What is the InChIKey of N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopentylbutanamide?
The InChIKey is ZACMYXXVZYWZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O3/c1-2-5-17(23)21(14-6-3-4-7-14)16-12-18(24)22(19(16)25)15-10-8-13(20)9-11-15/h8-11,14,16H,2-7,12H2,1H3.
What are the key properties of N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopentylbutanamide?
N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopentylbutanamide has a molecular weight of 407.31 g/mol, XLogP of 3.65, 5 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-cyclopentylbutanamide is sourced from PubChem (CID 23915156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).