N-[[5-(4-bromophenyl)furan-2-yl]methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide

C23H19BrN2O4 — CID 24588447

IUPACN-[[5-(4-bromophenyl)furan-2-yl]methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
SMILESO=C(NCc1ccc(-c2ccc(Br)cc2)o1)c1ccc(CN2C(=O)CCC2=O)cc1
InChIInChI=1S/C23H19BrN2O4/c24-18-7-5-16(6-8-18)20-10-9-19(30-20)13-25-23(29)17-3-1-15(2-4-17)14-26-21(27)11-12-22(26)28/h1-10H,11-14H2,(H,25,29)
InChIKeyZLOLOVMUICKSNW-UHFFFAOYSA-N
MW467.32 g/mol
LogP4.29
Rot. Bonds6

About N-[[5-(4-bromophenyl)furan-2-yl]methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide

N-[[5-(4-bromophenyl)furan-2-yl]methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide (PubChem CID 24588447) has the molecular formula C23H19BrN2O4 and a molecular weight of 467.32 g/mol. Its IUPAC name is N-[[5-(4-bromophenyl)furan-2-yl]methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[[5-(4-bromophenyl)furan-2-yl]methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
PubChem CID24588447
Molecular FormulaC23H19BrN2O4
Molecular Weight467.32 g/mol
Exact Mass466.05
IUPAC NameN-[[5-(4-bromophenyl)furan-2-yl]methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
SMILESO=C(NCc1ccc(-c2ccc(Br)cc2)o1)c1ccc(CN2C(=O)CCC2=O)cc1
InChIInChI=1S/C23H19BrN2O4/c24-18-7-5-16(6-8-18)20-10-9-19(30-20)13-25-23(29)17-3-1-15(2-4-17)14-26-21(27)11-12-22(26)28/h1-10H,11-14H2,(H,25,29)
InChIKeyZLOLOVMUICKSNW-UHFFFAOYSA-N
XLogP4.29
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.32
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-(4-bromophenyl)furan-2-yl]methyl]-5-methylfuran-2-carboxamide
CID 46683025
5-bromo-N-[[5-(4-bromophenyl)furan-2-yl]methyl]furan-2-carboxamide
CID 17335172
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-chlorobenzamide
CID 9204124
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-methylbenzamide
CID 9204101
N-[(3,5-difluorophenyl)methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 55596850
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-4-fluorobenzamide
CID 54858020
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 24588403
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide
CID 17335206
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-fluorobenzamide
CID 9204118
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 167938471
N-(2,5-dibromophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 39166499
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-thiophen-3-ylacetamide
CID 24588409

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide?
The IUPAC name of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide (CID 24588447) is N-[[5-(4-bromophenyl)furan-2-yl]methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-[[5-(4-bromophenyl)furan-2-yl]methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-[[5-(4-bromophenyl)furan-2-yl]methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide is O=C(NCc1ccc(-c2ccc(Br)cc2)o1)c1ccc(CN2C(=O)CCC2=O)cc1.
What is the InChIKey of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide?
The InChIKey is ZLOLOVMUICKSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrN2O4/c24-18-7-5-16(6-8-18)20-10-9-19(30-20)13-25-23(29)17-3-1-15(2-4-17)14-26-21(27)11-12-22(26)28/h1-10H,11-14H2,(H,25,29).
What are the key properties of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide?
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide has a molecular weight of 467.32 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-bromophenyl)furan-2-yl]methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 24588447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).