5-(4-chlorophenyl)-4-(2,5-dimethylfuran-3-carbonyl)-1-N-ethyl-3-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide

C28H30ClN3O5 — CID 23913249

IUPAC5-(4-chlorophenyl)-4-(2,5-dimethylfuran-3-carbonyl)-1-N-ethyl-3-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCCNC(=O)N1C(C(N)=O)C(c2ccc(OC)cc2)C(C(=O)c2cc(C)oc2C)C1c1ccc(Cl)cc1
InChIInChI=1S/C28H30ClN3O5/c1-5-31-28(35)32-24(18-6-10-19(29)11-7-18)23(26(33)21-14-15(2)37-16(21)3)22(25(32)27(30)34)17-8-12-20(36-4)13-9-17/h6-14,22-25H,5H2,1-4H3,(H2,30,34)(H,31,35)
InChIKeyAUQFNHBKHWAWRC-UHFFFAOYSA-N
MW524.02 g/mol
LogP4.78
Rot. Bonds7

About 5-(4-chlorophenyl)-4-(2,5-dimethylfuran-3-carbonyl)-1-N-ethyl-3-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide

5-(4-chlorophenyl)-4-(2,5-dimethylfuran-3-carbonyl)-1-N-ethyl-3-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 23913249) has the molecular formula C28H30ClN3O5 and a molecular weight of 524.02 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4-(2,5-dimethylfuran-3-carbonyl)-1-N-ethyl-3-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4-(2,5-dimethylfuran-3-carbonyl)-1-N-ethyl-3-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
PubChem CID23913249
Molecular FormulaC28H30ClN3O5
Molecular Weight524.02 g/mol
Exact Mass523.19
IUPAC Name5-(4-chlorophenyl)-4-(2,5-dimethylfuran-3-carbonyl)-1-N-ethyl-3-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCCNC(=O)N1C(C(N)=O)C(c2ccc(OC)cc2)C(C(=O)c2cc(C)oc2C)C1c1ccc(Cl)cc1
InChIInChI=1S/C28H30ClN3O5/c1-5-31-28(35)32-24(18-6-10-19(29)11-7-18)23(26(33)21-14-15(2)37-16(21)3)22(25(32)27(30)34)17-8-12-20(36-4)13-9-17/h6-14,22-25H,5H2,1-4H3,(H2,30,34)(H,31,35)
InChIKeyAUQFNHBKHWAWRC-UHFFFAOYSA-N
XLogP4.78
TPSA114.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.02
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(4-chlorophenyl)-4-(2,5-dimethylfuran-3-carbonyl)-1-N-ethyl-3-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide 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

2-(4-chlorophenyl)-3-(2,5-dimethylfuran-3-carbonyl)-N-ethyl-4-(4-methoxyphenyl)-5-(piperazine-1-carbonyl)pyrrolidine-1-carboxamide
CID 23791427
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(2,5-dimethylfuran-3-carbonyl)-N-ethyl-4-(4-methoxyphenyl)-5-(piperazine-1-carbonyl)pyrrolidine-1-carboxamide
CID 23855254
5-(4-chlorophenyl)-4-(2,5-dimethylfuran-3-carbonyl)-3-(4-methoxyphenyl)-2-methyl-1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 23959139
4-(4-methoxybenzoyl)-1-N,5-bis(4-methylphenyl)-3-phenylpyrrolidine-1,2-dicarboxamide
CID 23933335
2-N-ethyl-1-(4-methoxyphenyl)-4,6-dioxo-5-phenyl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-2,3-dicarboxamide
CID 23931702
4-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-3-phenyl-1-(propylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 23822271
4-[1-(cyclohexanecarbonyl)-3-(2,5-dimethylfuran-3-carbonyl)-4-(4-methoxyphenyl)-5-(piperazine-1-carbonyl)pyrrolidin-2-yl]benzonitrile
CID 23883202
4-benzoyl-1-(2-methoxyacetyl)-5-(4-methoxyphenyl)-3-(4-nitrophenyl)pyrrolidine-2-carboxamide
CID 23992015
4-(4-methoxybenzoyl)-3,5-bis(4-methoxyphenyl)-1-(3-methylbutanoyl)pyrrolidine-2-carboxylic acid
CID 23965209
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 2367525
4-benzoyl-1-(2-methoxyacetyl)-5-(4-methoxyphenyl)-3-phenylpyrrolidine-2-carboxylic acid
CID 23932091
1-benzoyl-4-(4-methoxybenzoyl)-5-(4-methylphenyl)-3-phenylpyrrolidine-2-carboxylic acid
CID 23903316

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-4-(2,5-dimethylfuran-3-carbonyl)-1-N-ethyl-3-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 5-(4-chlorophenyl)-4-(2,5-dimethylfuran-3-carbonyl)-1-N-ethyl-3-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide (CID 23913249) is 5-(4-chlorophenyl)-4-(2,5-dimethylfuran-3-carbonyl)-1-N-ethyl-3-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-4-(2,5-dimethylfuran-3-carbonyl)-1-N-ethyl-3-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-4-(2,5-dimethylfuran-3-carbonyl)-1-N-ethyl-3-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide is CCNC(=O)N1C(C(N)=O)C(c2ccc(OC)cc2)C(C(=O)c2cc(C)oc2C)C1c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-4-(2,5-dimethylfuran-3-carbonyl)-1-N-ethyl-3-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is AUQFNHBKHWAWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30ClN3O5/c1-5-31-28(35)32-24(18-6-10-19(29)11-7-18)23(26(33)21-14-15(2)37-16(21)3)22(25(32)27(30)34)17-8-12-20(36-4)13-9-17/h6-14,22-25H,5H2,1-4H3,(H2,30,34)(H,31,35).
What are the key properties of 5-(4-chlorophenyl)-4-(2,5-dimethylfuran-3-carbonyl)-1-N-ethyl-3-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide?
5-(4-chlorophenyl)-4-(2,5-dimethylfuran-3-carbonyl)-1-N-ethyl-3-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 524.02 g/mol, XLogP of 4.78, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-4-(2,5-dimethylfuran-3-carbonyl)-1-N-ethyl-3-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 23913249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).