1-benzyl-3-(5-chloro-2-methylanilino)-4-(4-chlorophenyl)pyrrole-2,5-dione

C24H18Cl2N2O2 — CID 110599221

IUPAC1-benzyl-3-(5-chloro-2-methylanilino)-4-(4-chlorophenyl)pyrrole-2,5-dione
SMILESCc1ccc(Cl)cc1NC1=C(c2ccc(Cl)cc2)C(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C24H18Cl2N2O2/c1-15-7-10-19(26)13-20(15)27-22-21(17-8-11-18(25)12-9-17)23(29)28(24(22)30)14-16-5-3-2-4-6-16/h2-13,27H,14H2,1H3
InChIKeyRUZNCWUWNDGRCQ-UHFFFAOYSA-N
MW437.33 g/mol
LogP5.69
Rot. Bonds5

About 1-benzyl-3-(5-chloro-2-methylanilino)-4-(4-chlorophenyl)pyrrole-2,5-dione

1-benzyl-3-(5-chloro-2-methylanilino)-4-(4-chlorophenyl)pyrrole-2,5-dione (PubChem CID 110599221) has the molecular formula C24H18Cl2N2O2 and a molecular weight of 437.33 g/mol. Its IUPAC name is 1-benzyl-3-(5-chloro-2-methylanilino)-4-(4-chlorophenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-benzyl-3-(5-chloro-2-methylanilino)-4-(4-chlorophenyl)pyrrole-2,5-dione
PubChem CID110599221
Molecular FormulaC24H18Cl2N2O2
Molecular Weight437.33 g/mol
Exact Mass436.07
IUPAC Name1-benzyl-3-(5-chloro-2-methylanilino)-4-(4-chlorophenyl)pyrrole-2,5-dione
SMILESCc1ccc(Cl)cc1NC1=C(c2ccc(Cl)cc2)C(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C24H18Cl2N2O2/c1-15-7-10-19(26)13-20(15)27-22-21(17-8-11-18(25)12-9-17)23(29)28(24(22)30)14-16-5-3-2-4-6-16/h2-13,27H,14H2,1H3
InChIKeyRUZNCWUWNDGRCQ-UHFFFAOYSA-N
XLogP5.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.33
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(5-chloro-2-methylanilino)-1-[(4-methylphenyl)methyl]-4-phenylpyrrole-2,5-dione
CID 110594305
1-benzyl-3-(5-chloro-2-methylanilino)-4-(3,4-dimethoxyphenyl)pyrrole-2,5-dione
CID 110596883
3-(5-chloro-2-methylanilino)-1-[(2-chlorophenyl)methyl]-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110600445
3-(5-chloro-2-methylanilino)-1-(2-methoxyethyl)-4-phenylpyrrole-2,5-dione
CID 110594593
3-(5-chloro-2-methylanilino)-1-[(2-chlorophenyl)methyl]-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110592636
3-(5-chloro-2-methylanilino)-4-(4-fluorophenyl)-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione
CID 110586143
3-(5-chloro-2-methylanilino)-1-[2-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110585934
3-(2,5-dimethylanilino)-1-[(4-fluorophenyl)methyl]-4-phenylpyrrole-2,5-dione
CID 110594709
3-anilino-1-benzyl-4-(3,4-dimethylphenyl)pyrrole-2,5-dione
CID 110588824
1-(1,3-benzodioxol-5-ylmethyl)-3-(5-chloro-2-methylanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110586090
3-(5-chloro-2-methylanilino)-4-phenyl-1-(3-propan-2-yloxypropyl)pyrrole-2,5-dione
CID 110594677
3-(5-chloro-2-methylanilino)-4-(3,4-dimethylphenyl)-1-propylpyrrole-2,5-dione
CID 110588845

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(5-chloro-2-methylanilino)-4-(4-chlorophenyl)pyrrole-2,5-dione?
The IUPAC name of 1-benzyl-3-(5-chloro-2-methylanilino)-4-(4-chlorophenyl)pyrrole-2,5-dione (CID 110599221) is 1-benzyl-3-(5-chloro-2-methylanilino)-4-(4-chlorophenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-benzyl-3-(5-chloro-2-methylanilino)-4-(4-chlorophenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-benzyl-3-(5-chloro-2-methylanilino)-4-(4-chlorophenyl)pyrrole-2,5-dione is Cc1ccc(Cl)cc1NC1=C(c2ccc(Cl)cc2)C(=O)N(Cc2ccccc2)C1=O.
What is the InChIKey of 1-benzyl-3-(5-chloro-2-methylanilino)-4-(4-chlorophenyl)pyrrole-2,5-dione?
The InChIKey is RUZNCWUWNDGRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl2N2O2/c1-15-7-10-19(26)13-20(15)27-22-21(17-8-11-18(25)12-9-17)23(29)28(24(22)30)14-16-5-3-2-4-6-16/h2-13,27H,14H2,1H3.
What are the key properties of 1-benzyl-3-(5-chloro-2-methylanilino)-4-(4-chlorophenyl)pyrrole-2,5-dione?
1-benzyl-3-(5-chloro-2-methylanilino)-4-(4-chlorophenyl)pyrrole-2,5-dione has a molecular weight of 437.33 g/mol, XLogP of 5.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(5-chloro-2-methylanilino)-4-(4-chlorophenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110599221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).