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

C25H20Cl2N2O2 — CID 110599799

IUPAC3-(3-chloro-2-methylanilino)-4-(4-chlorophenyl)-1-(4-ethylphenyl)pyrrole-2,5-dione
SMILESCCc1ccc(N2C(=O)C(Nc3cccc(Cl)c3C)=C(c3ccc(Cl)cc3)C2=O)cc1
InChIInChI=1S/C25H20Cl2N2O2/c1-3-16-7-13-19(14-8-16)29-24(30)22(17-9-11-18(26)12-10-17)23(25(29)31)28-21-6-4-5-20(27)15(21)2/h4-14,28H,3H2,1-2H3
InChIKeyBKSRGRHFHRKLMV-UHFFFAOYSA-N
MW451.35 g/mol
LogP6.26
Rot. Bonds5

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

3-(3-chloro-2-methylanilino)-4-(4-chlorophenyl)-1-(4-ethylphenyl)pyrrole-2,5-dione (PubChem CID 110599799) has the molecular formula C25H20Cl2N2O2 and a molecular weight of 451.35 g/mol. Its IUPAC name is 3-(3-chloro-2-methylanilino)-4-(4-chlorophenyl)-1-(4-ethylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(3-chloro-2-methylanilino)-4-(4-chlorophenyl)-1-(4-ethylphenyl)pyrrole-2,5-dione
PubChem CID110599799
Molecular FormulaC25H20Cl2N2O2
Molecular Weight451.35 g/mol
Exact Mass450.09
IUPAC Name3-(3-chloro-2-methylanilino)-4-(4-chlorophenyl)-1-(4-ethylphenyl)pyrrole-2,5-dione
SMILESCCc1ccc(N2C(=O)C(Nc3cccc(Cl)c3C)=C(c3ccc(Cl)cc3)C2=O)cc1
InChIInChI=1S/C25H20Cl2N2O2/c1-3-16-7-13-19(14-8-16)29-24(30)22(17-9-11-18(26)12-10-17)23(25(29)31)28-21-6-4-5-20(27)15(21)2/h4-14,28H,3H2,1-2H3
InChIKeyBKSRGRHFHRKLMV-UHFFFAOYSA-N
XLogP6.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.35
LogP ≤ 56.26
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-(3-chloro-2-methylanilino)-1-(4-chlorophenyl)-4-(4-ethoxyphenyl)pyrrole-2,5-dione
CID 110588286
3-(4-chlorophenyl)-4-(2,5-dimethylanilino)-1-(4-ethylphenyl)pyrrole-2,5-dione
CID 110599808
1-(4-chlorophenyl)-3-(4-ethylanilino)-4-phenylpyrrole-2,5-dione
CID 110595536
1-(4-bromophenyl)-3-(3-chloro-2-methylanilino)-4-phenylpyrrole-2,5-dione
CID 110595918
3-(4-chlorophenyl)-4-(2,3-dimethylanilino)-1-(4-ethoxyphenyl)pyrrole-2,5-dione
CID 110599825
1-(4-chlorophenyl)-3-(2,3-dimethylanilino)-4-(4-ethoxyphenyl)pyrrole-2,5-dione
CID 110588294
3-(3-chloro-2-methylanilino)-1-[4-(dimethylamino)phenyl]-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110585913
1-(4-chlorophenyl)-3-(2,3-dimethylanilino)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110593544
3-(3-chloro-2-methylanilino)-4-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]pyrrole-2,5-dione
CID 110599430
3-(3-chloro-2-methylanilino)-1-(3-chloro-4-methylphenyl)-4-phenylpyrrole-2,5-dione
CID 110595876
1-(3-chlorophenyl)-3-(4-chlorophenyl)-4-(2,3-dimethylanilino)pyrrole-2,5-dione
CID 110599929
3-(3-chloro-2-methylanilino)-4-(4-ethoxyphenyl)-1-(3-methylphenyl)pyrrole-2,5-dione
CID 110588321

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-methylanilino)-4-(4-chlorophenyl)-1-(4-ethylphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-(3-chloro-2-methylanilino)-4-(4-chlorophenyl)-1-(4-ethylphenyl)pyrrole-2,5-dione (CID 110599799) is 3-(3-chloro-2-methylanilino)-4-(4-chlorophenyl)-1-(4-ethylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(3-chloro-2-methylanilino)-4-(4-chlorophenyl)-1-(4-ethylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(3-chloro-2-methylanilino)-4-(4-chlorophenyl)-1-(4-ethylphenyl)pyrrole-2,5-dione is CCc1ccc(N2C(=O)C(Nc3cccc(Cl)c3C)=C(c3ccc(Cl)cc3)C2=O)cc1.
What is the InChIKey of 3-(3-chloro-2-methylanilino)-4-(4-chlorophenyl)-1-(4-ethylphenyl)pyrrole-2,5-dione?
The InChIKey is BKSRGRHFHRKLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20Cl2N2O2/c1-3-16-7-13-19(14-8-16)29-24(30)22(17-9-11-18(26)12-10-17)23(25(29)31)28-21-6-4-5-20(27)15(21)2/h4-14,28H,3H2,1-2H3.
What are the key properties of 3-(3-chloro-2-methylanilino)-4-(4-chlorophenyl)-1-(4-ethylphenyl)pyrrole-2,5-dione?
3-(3-chloro-2-methylanilino)-4-(4-chlorophenyl)-1-(4-ethylphenyl)pyrrole-2,5-dione has a molecular weight of 451.35 g/mol, XLogP of 6.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-methylanilino)-4-(4-chlorophenyl)-1-(4-ethylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110599799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).