3-(3-chloro-2-methylanilino)-1-(3-chloro-4-methylphenyl)-4-phenylpyrrole-2,5-dione

C24H18Cl2N2O2 — CID 110595876

IUPAC3-(3-chloro-2-methylanilino)-1-(3-chloro-4-methylphenyl)-4-phenylpyrrole-2,5-dione
SMILESCc1ccc(N2C(=O)C(Nc3cccc(Cl)c3C)=C(c3ccccc3)C2=O)cc1Cl
InChIInChI=1S/C24H18Cl2N2O2/c1-14-11-12-17(13-19(14)26)28-23(29)21(16-7-4-3-5-8-16)22(24(28)30)27-20-10-6-9-18(25)15(20)2/h3-13,27H,1-2H3
InChIKeyJFPNVLGJHSZZPH-UHFFFAOYSA-N
MW437.33 g/mol
LogP6.01
Rot. Bonds4

About 3-(3-chloro-2-methylanilino)-1-(3-chloro-4-methylphenyl)-4-phenylpyrrole-2,5-dione

3-(3-chloro-2-methylanilino)-1-(3-chloro-4-methylphenyl)-4-phenylpyrrole-2,5-dione (PubChem CID 110595876) has the molecular formula C24H18Cl2N2O2 and a molecular weight of 437.33 g/mol. Its IUPAC name is 3-(3-chloro-2-methylanilino)-1-(3-chloro-4-methylphenyl)-4-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(3-chloro-2-methylanilino)-1-(3-chloro-4-methylphenyl)-4-phenylpyrrole-2,5-dione
PubChem CID110595876
Molecular FormulaC24H18Cl2N2O2
Molecular Weight437.33 g/mol
Exact Mass436.07
IUPAC Name3-(3-chloro-2-methylanilino)-1-(3-chloro-4-methylphenyl)-4-phenylpyrrole-2,5-dione
SMILESCc1ccc(N2C(=O)C(Nc3cccc(Cl)c3C)=C(c3ccccc3)C2=O)cc1Cl
InChIInChI=1S/C24H18Cl2N2O2/c1-14-11-12-17(13-19(14)26)28-23(29)21(16-7-4-3-5-8-16)22(24(28)30)27-20-10-6-9-18(25)15(20)2/h3-13,27H,1-2H3
InChIKeyJFPNVLGJHSZZPH-UHFFFAOYSA-N
XLogP6.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.33
LogP ≤ 56.01
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

1-(4-bromophenyl)-3-(3-chloro-2-methylanilino)-4-phenylpyrrole-2,5-dione
CID 110595918
1-(3-chloro-4-fluorophenyl)-3-(2,3-dimethylanilino)-4-phenylpyrrole-2,5-dione
CID 110595486
3-(3-chloro-2-methylanilino)-1-(3-chloro-4-methylphenyl)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110598450
3-chloro-1-(3-chloro-4-methylphenyl)-4-(2,3-dimethylanilino)pyrrole-2,5-dione
CID 1181998
3-(3-chloro-2-methylanilino)-4-(3,4-dimethylphenyl)-1-(3-methoxyphenyl)pyrrole-2,5-dione
CID 110588520
3-(5-chloro-2-methylanilino)-1-(3,4-dimethylphenyl)-4-phenylpyrrole-2,5-dione
CID 110595292
3-(3-chloro-2-methylanilino)-4-(4-chlorophenyl)-1-(4-ethylphenyl)pyrrole-2,5-dione
CID 110599799
1-(3-chlorophenyl)-3-(4-chlorophenyl)-4-(2,3-dimethylanilino)pyrrole-2,5-dione
CID 110599929
3-(3-chloro-2-methylanilino)-1-[4-(dimethylamino)phenyl]-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110585913
3-(3-chloro-2-methylanilino)-4-phenyl-1-(2-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110595733
3-(3-chloro-2-methylanilino)-4-(4-ethoxyphenyl)-1-(3-methylphenyl)pyrrole-2,5-dione
CID 110588321
1-(3-chloro-2-methylphenyl)-3-(3,4-dimethylanilino)-4-phenylpyrrole-2,5-dione
CID 110595103

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-methylanilino)-1-(3-chloro-4-methylphenyl)-4-phenylpyrrole-2,5-dione?
The IUPAC name of 3-(3-chloro-2-methylanilino)-1-(3-chloro-4-methylphenyl)-4-phenylpyrrole-2,5-dione (CID 110595876) is 3-(3-chloro-2-methylanilino)-1-(3-chloro-4-methylphenyl)-4-phenylpyrrole-2,5-dione.
What is the SMILES notation for 3-(3-chloro-2-methylanilino)-1-(3-chloro-4-methylphenyl)-4-phenylpyrrole-2,5-dione?
The canonical SMILES for 3-(3-chloro-2-methylanilino)-1-(3-chloro-4-methylphenyl)-4-phenylpyrrole-2,5-dione is Cc1ccc(N2C(=O)C(Nc3cccc(Cl)c3C)=C(c3ccccc3)C2=O)cc1Cl.
What is the InChIKey of 3-(3-chloro-2-methylanilino)-1-(3-chloro-4-methylphenyl)-4-phenylpyrrole-2,5-dione?
The InChIKey is JFPNVLGJHSZZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl2N2O2/c1-14-11-12-17(13-19(14)26)28-23(29)21(16-7-4-3-5-8-16)22(24(28)30)27-20-10-6-9-18(25)15(20)2/h3-13,27H,1-2H3.
What are the key properties of 3-(3-chloro-2-methylanilino)-1-(3-chloro-4-methylphenyl)-4-phenylpyrrole-2,5-dione?
3-(3-chloro-2-methylanilino)-1-(3-chloro-4-methylphenyl)-4-phenylpyrrole-2,5-dione has a molecular weight of 437.33 g/mol, XLogP of 6.01, 4 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)-1-(3-chloro-4-methylphenyl)-4-phenylpyrrole-2,5-dione is sourced from PubChem (CID 110595876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).