N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)furan-2-carboxamide

C23H19IN2O4 — CID 23915227

IUPACN-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)furan-2-carboxamide
SMILESO=C1CC(N(CCc2ccccc2)C(=O)c2ccco2)C(=O)N1c1ccc(I)cc1
InChIInChI=1S/C23H19IN2O4/c24-17-8-10-18(11-9-17)26-21(27)15-19(22(26)28)25(23(29)20-7-4-14-30-20)13-12-16-5-2-1-3-6-16/h1-11,14,19H,12-13,15H2
InChIKeyIESOHMFLVMKVMF-UHFFFAOYSA-N
MW514.32 g/mol
LogP3.90
Rot. Bonds6

About N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)furan-2-carboxamide

N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)furan-2-carboxamide (PubChem CID 23915227) has the molecular formula C23H19IN2O4 and a molecular weight of 514.32 g/mol. Its IUPAC name is N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)furan-2-carboxamide
PubChem CID23915227
Molecular FormulaC23H19IN2O4
Molecular Weight514.32 g/mol
Exact Mass514.04
IUPAC NameN-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)furan-2-carboxamide
SMILESO=C1CC(N(CCc2ccccc2)C(=O)c2ccco2)C(=O)N1c1ccc(I)cc1
InChIInChI=1S/C23H19IN2O4/c24-17-8-10-18(11-9-17)26-21(27)15-19(22(26)28)25(23(29)20-7-4-14-30-20)13-12-16-5-2-1-3-6-16/h1-11,14,19H,12-13,15H2
InChIKeyIESOHMFLVMKVMF-UHFFFAOYSA-N
XLogP3.90
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.32
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]furan-2-carboxamide
CID 25043221
N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N-(2-phenylethyl)acetamide
CID 3109144
2-fluoro-N-(furan-2-ylmethyl)-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]benzamide
CID 23832287
N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)propanamide
CID 3121026
2-(4-chlorophenyl)-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)acetamide
CID 23998801
4-[[(3S)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)amino]-4-oxobutanoic acid
CID 7013740
N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-N-(2-phenylethyl)acetamide
CID 23915042
N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-2-fluoro-N-(2-phenylethyl)benzamide
CID 25043381
3,3-dimethyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)butanamide
CID 23743856
N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide
CID 23971103
4-[[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)amino]-4-oxobut-2-enoic acid
CID 3109141
N-[(2-chlorophenyl)methyl]-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]furan-2-carboxamide
CID 23859354

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)furan-2-carboxamide?
The IUPAC name of N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)furan-2-carboxamide (CID 23915227) is N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)furan-2-carboxamide.
What is the SMILES notation for N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)furan-2-carboxamide?
The canonical SMILES for N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)furan-2-carboxamide is O=C1CC(N(CCc2ccccc2)C(=O)c2ccco2)C(=O)N1c1ccc(I)cc1.
What is the InChIKey of N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)furan-2-carboxamide?
The InChIKey is IESOHMFLVMKVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19IN2O4/c24-17-8-10-18(11-9-17)26-21(27)15-19(22(26)28)25(23(29)20-7-4-14-30-20)13-12-16-5-2-1-3-6-16/h1-11,14,19H,12-13,15H2.
What are the key properties of N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)furan-2-carboxamide?
N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)furan-2-carboxamide has a molecular weight of 514.32 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)furan-2-carboxamide is sourced from PubChem (CID 23915227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).