N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C26H20ClN3O5 — CID 55726133

IUPACN-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cccc(N2CC(C(=O)Nc3ccc(N4C(=O)c5ccccc5C4=O)c(Cl)c3)CC2=O)c1
InChIInChI=1S/C26H20ClN3O5/c1-35-18-6-4-5-17(13-18)29-14-15(11-23(29)31)24(32)28-16-9-10-22(21(27)12-16)30-25(33)19-7-2-3-8-20(19)26(30)34/h2-10,12-13,15H,11,14H2,1H3,(H,28,32)
InChIKeyUFJXVSPDIDAEFT-UHFFFAOYSA-N
MW489.92 g/mol
LogP4.14
Rot. Bonds5

About N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 55726133) has the molecular formula C26H20ClN3O5 and a molecular weight of 489.92 g/mol. Its IUPAC name is N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID55726133
Molecular FormulaC26H20ClN3O5
Molecular Weight489.92 g/mol
Exact Mass489.11
IUPAC NameN-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cccc(N2CC(C(=O)Nc3ccc(N4C(=O)c5ccccc5C4=O)c(Cl)c3)CC2=O)c1
InChIInChI=1S/C26H20ClN3O5/c1-35-18-6-4-5-17(13-18)29-14-15(11-23(29)31)24(32)28-16-9-10-22(21(27)12-16)30-25(33)19-7-2-3-8-20(19)26(30)34/h2-10,12-13,15H,11,14H2,1H3,(H,28,32)
InChIKeyUFJXVSPDIDAEFT-UHFFFAOYSA-N
XLogP4.14
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.92
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-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

methyl 2-chloro-5-[[1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 42947593
1-(2-chlorophenyl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2967716
N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 55778539
1-(3-acetylphenyl)-N-(3-chloro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113188837
1-(3-methoxyphenyl)-5-oxo-N-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113188155
(3R)-1-(3-acetamidophenyl)-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92726984
(3S)-N-(1,3-benzodioxol-5-yl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9388404
(3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9388317
1-(3-chloro-2-methylphenyl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113187530
(3R)-N-(3-chloro-4-methylphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7316360
1-(3-methoxyphenyl)-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 46635658
N-(3,4-dichlorophenyl)-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55335202

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 55726133) is N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is COc1cccc(N2CC(C(=O)Nc3ccc(N4C(=O)c5ccccc5C4=O)c(Cl)c3)CC2=O)c1.
What is the InChIKey of N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is UFJXVSPDIDAEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClN3O5/c1-35-18-6-4-5-17(13-18)29-14-15(11-23(29)31)24(32)28-16-9-10-22(21(27)12-16)30-25(33)19-7-2-3-8-20(19)26(30)34/h2-10,12-13,15H,11,14H2,1H3,(H,28,32).
What are the key properties of N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 489.92 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55726133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).