N-benzyl-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3,4-dimethoxybenzamide

C26H23ClN2O5 — CID 23745183

IUPACN-benzyl-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)N(Cc2ccccc2)C2CC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC
InChIInChI=1S/C26H23ClN2O5/c1-33-22-13-8-18(14-23(22)34-2)25(31)28(16-17-6-4-3-5-7-17)21-15-24(30)29(26(21)32)20-11-9-19(27)10-12-20/h3-14,21H,15-16H2,1-2H3
InChIKeySRTJPLYHZFLUSV-UHFFFAOYSA-N
MW478.93 g/mol
LogP4.33
Rot. Bonds7

About N-benzyl-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3,4-dimethoxybenzamide

N-benzyl-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3,4-dimethoxybenzamide (PubChem CID 23745183) has the molecular formula C26H23ClN2O5 and a molecular weight of 478.93 g/mol. Its IUPAC name is N-benzyl-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-benzyl-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3,4-dimethoxybenzamide
PubChem CID23745183
Molecular FormulaC26H23ClN2O5
Molecular Weight478.93 g/mol
Exact Mass478.13
IUPAC NameN-benzyl-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)N(Cc2ccccc2)C2CC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC
InChIInChI=1S/C26H23ClN2O5/c1-33-22-13-8-18(14-23(22)34-2)25(31)28(16-17-6-4-3-5-7-17)21-15-24(30)29(26(21)32)20-11-9-19(27)10-12-20/h3-14,21H,15-16H2,1-2H3
InChIKeySRTJPLYHZFLUSV-UHFFFAOYSA-N
XLogP4.33
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.93
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-3,4-dimethoxybenzamide
CID 23972425
N-benzyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3,4-dimethoxybenzamide
CID 23832221
[4-[3-[(2-chlorophenyl)methyl-(3,4-dimethoxybenzoyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl] acetate
CID 23832212
4-chloro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 5145093
N-benzyl-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-fluorobenzamide
CID 23944461
N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-3,4-dimethoxy-N-(2-methylbutan-2-yl)benzamide
CID 23916425
N-(2,2-dimethoxyethyl)-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-3,4-dimethoxybenzamide
CID 23860670
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzamide
CID 1044893
N-benzyl-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]butanamide
CID 23859290
methyl 4-[3-[benzyl-[(4-chlorophenyl)carbamothioyl]amino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 5167439
N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-N-benzyl-4-methoxybenzamide
CID 23972483
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]benzamide
CID 3851775

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3,4-dimethoxybenzamide?
The IUPAC name of N-benzyl-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3,4-dimethoxybenzamide (CID 23745183) is N-benzyl-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-benzyl-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-benzyl-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)N(Cc2ccccc2)C2CC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC.
What is the InChIKey of N-benzyl-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3,4-dimethoxybenzamide?
The InChIKey is SRTJPLYHZFLUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN2O5/c1-33-22-13-8-18(14-23(22)34-2)25(31)28(16-17-6-4-3-5-7-17)21-15-24(30)29(26(21)32)20-11-9-19(27)10-12-20/h3-14,21H,15-16H2,1-2H3.
What are the key properties of N-benzyl-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3,4-dimethoxybenzamide?
N-benzyl-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3,4-dimethoxybenzamide has a molecular weight of 478.93 g/mol, XLogP of 4.33, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 23745183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).