5-(4-chlorophenyl)-4-(2,5-dimethylfuran-3-carbonyl)-3-(4-methoxyphenyl)-2-methyl-1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid

C33H31ClN2O6 — CID 23959139

IUPAC5-(4-chlorophenyl)-4-(2,5-dimethylfuran-3-carbonyl)-3-(4-methoxyphenyl)-2-methyl-1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESCOc1ccc(C2C(C(=O)c3cc(C)oc3C)C(c3ccc(Cl)cc3)N(C(=O)Nc3ccccc3)C2(C)C(=O)O)cc1
InChIInChI=1S/C33H31ClN2O6/c1-19-18-26(20(2)42-19)30(37)27-28(21-12-16-25(41-4)17-13-21)33(3,31(38)39)36(29(27)22-10-14-23(34)15-11-22)32(40)35-24-8-6-5-7-9-24/h5-18,27-29H,1-4H3,(H,35,40)(H,38,39)
InChIKeyOYTKWHCZRQNXHV-UHFFFAOYSA-N
MW587.07 g/mol
LogP7.27
Rot. Bonds7

About 5-(4-chlorophenyl)-4-(2,5-dimethylfuran-3-carbonyl)-3-(4-methoxyphenyl)-2-methyl-1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid

5-(4-chlorophenyl)-4-(2,5-dimethylfuran-3-carbonyl)-3-(4-methoxyphenyl)-2-methyl-1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid (PubChem CID 23959139) has the molecular formula C33H31ClN2O6 and a molecular weight of 587.07 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4-(2,5-dimethylfuran-3-carbonyl)-3-(4-methoxyphenyl)-2-methyl-1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4-(2,5-dimethylfuran-3-carbonyl)-3-(4-methoxyphenyl)-2-methyl-1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid
PubChem CID23959139
Molecular FormulaC33H31ClN2O6
Molecular Weight587.07 g/mol
Exact Mass586.19
IUPAC Name5-(4-chlorophenyl)-4-(2,5-dimethylfuran-3-carbonyl)-3-(4-methoxyphenyl)-2-methyl-1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESCOc1ccc(C2C(C(=O)c3cc(C)oc3C)C(c3ccc(Cl)cc3)N(C(=O)Nc3ccccc3)C2(C)C(=O)O)cc1
InChIInChI=1S/C33H31ClN2O6/c1-19-18-26(20(2)42-19)30(37)27-28(21-12-16-25(41-4)17-13-21)33(3,31(38)39)36(29(27)22-10-14-23(34)15-11-22)32(40)35-24-8-6-5-7-9-24/h5-18,27-29H,1-4H3,(H,35,40)(H,38,39)
InChIKeyOYTKWHCZRQNXHV-UHFFFAOYSA-N
XLogP7.27
TPSA109.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.07
LogP ≤ 57.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(4-chlorophenyl)-4-(2,5-dimethylfuran-3-carbonyl)-3-(4-methoxyphenyl)-2-methyl-1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid 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

4-(4-methoxybenzoyl)-3-(4-methoxyphenyl)-2-methyl-5-(4-methylphenyl)-1-[(4-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 23828205
4-(4-methoxybenzoyl)-3,5-bis(4-methoxyphenyl)-2-methyl-1-[(4-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 23912786
1-[(4-fluorophenyl)carbamoyl]-4-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-2-methyl-3-phenylpyrrolidine-2-carboxylic acid
CID 23824695
4-benzoyl-5-(4-methoxyphenyl)-2-methyl-3-(4-nitrophenyl)-1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 23789878
5-(4-chlorophenyl)-4-(5-chlorothiophene-2-carbonyl)-3-(3-methoxyphenyl)-2-methyl-1-[(3-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 23824029
3-(4-chlorophenyl)-5-(4-fluorophenyl)-1-[(4-fluorophenyl)carbamoyl]-2-methyl-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 23792226
3-(4-chlorophenyl)-2-methyl-5-(3-nitrophenyl)-1-(phenylcarbamoyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 23789726
5-(4-chlorophenyl)-4-(2,5-dimethylfuran-3-carbonyl)-1-N-ethyl-3-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 23913249
1-(cyclopropanecarbonyl)-5-(4-methoxyphenyl)-2-methyl-4-(4-nitrobenzoyl)-3-thiophen-2-ylpyrrolidine-2-carboxylic acid
CID 23993867
4-(4-methoxybenzoyl)-1-N,5-bis(4-methylphenyl)-3-phenylpyrrolidine-1,2-dicarboxamide
CID 23933335
(2S,3S,4S)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-(phenylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 22872125
N-(3-chlorophenyl)-2-(4-methoxyphenyl)morpholine-4-carboxamide
CID 110327203

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-4-(2,5-dimethylfuran-3-carbonyl)-3-(4-methoxyphenyl)-2-methyl-1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 5-(4-chlorophenyl)-4-(2,5-dimethylfuran-3-carbonyl)-3-(4-methoxyphenyl)-2-methyl-1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid (CID 23959139) is 5-(4-chlorophenyl)-4-(2,5-dimethylfuran-3-carbonyl)-3-(4-methoxyphenyl)-2-methyl-1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 5-(4-chlorophenyl)-4-(2,5-dimethylfuran-3-carbonyl)-3-(4-methoxyphenyl)-2-methyl-1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 5-(4-chlorophenyl)-4-(2,5-dimethylfuran-3-carbonyl)-3-(4-methoxyphenyl)-2-methyl-1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid is COc1ccc(C2C(C(=O)c3cc(C)oc3C)C(c3ccc(Cl)cc3)N(C(=O)Nc3ccccc3)C2(C)C(=O)O)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-4-(2,5-dimethylfuran-3-carbonyl)-3-(4-methoxyphenyl)-2-methyl-1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is OYTKWHCZRQNXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31ClN2O6/c1-19-18-26(20(2)42-19)30(37)27-28(21-12-16-25(41-4)17-13-21)33(3,31(38)39)36(29(27)22-10-14-23(34)15-11-22)32(40)35-24-8-6-5-7-9-24/h5-18,27-29H,1-4H3,(H,35,40)(H,38,39).
What are the key properties of 5-(4-chlorophenyl)-4-(2,5-dimethylfuran-3-carbonyl)-3-(4-methoxyphenyl)-2-methyl-1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid?
5-(4-chlorophenyl)-4-(2,5-dimethylfuran-3-carbonyl)-3-(4-methoxyphenyl)-2-methyl-1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 587.07 g/mol, XLogP of 7.27, 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)-3-(4-methoxyphenyl)-2-methyl-1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 23959139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).