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

C18H14Cl2N2O2 — CID 1033955

IUPAC3-chloro-4-(3-chloro-4-methylanilino)-1-(4-methylphenyl)pyrrole-2,5-dione
SMILESCc1ccc(N2C(=O)C(Cl)=C(Nc3ccc(C)c(Cl)c3)C2=O)cc1
InChIInChI=1S/C18H14Cl2N2O2/c1-10-3-7-13(8-4-10)22-17(23)15(20)16(18(22)24)21-12-6-5-11(2)14(19)9-12/h3-9,21H,1-2H3
InChIKeyPUEFBUWSTGLQOY-UHFFFAOYSA-N
MW361.23 g/mol
LogP4.39
Rot. Bonds3

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

3-chloro-4-(3-chloro-4-methylanilino)-1-(4-methylphenyl)pyrrole-2,5-dione (PubChem CID 1033955) has the molecular formula C18H14Cl2N2O2 and a molecular weight of 361.23 g/mol. Its IUPAC name is 3-chloro-4-(3-chloro-4-methylanilino)-1-(4-methylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-chloro-4-(3-chloro-4-methylanilino)-1-(4-methylphenyl)pyrrole-2,5-dione
PubChem CID1033955
Molecular FormulaC18H14Cl2N2O2
Molecular Weight361.23 g/mol
Exact Mass360.04
IUPAC Name3-chloro-4-(3-chloro-4-methylanilino)-1-(4-methylphenyl)pyrrole-2,5-dione
SMILESCc1ccc(N2C(=O)C(Cl)=C(Nc3ccc(C)c(Cl)c3)C2=O)cc1
InChIInChI=1S/C18H14Cl2N2O2/c1-10-3-7-13(8-4-10)22-17(23)15(20)16(18(22)24)21-12-6-5-11(2)14(19)9-12/h3-9,21H,1-2H3
InChIKeyPUEFBUWSTGLQOY-UHFFFAOYSA-N
XLogP4.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(3-chloro-4-methylanilino)-1-(4-methylphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-chloro-4-(3-chloro-4-methylanilino)-1-(4-methylphenyl)pyrrole-2,5-dione (CID 1033955) is 3-chloro-4-(3-chloro-4-methylanilino)-1-(4-methylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-chloro-4-(3-chloro-4-methylanilino)-1-(4-methylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-chloro-4-(3-chloro-4-methylanilino)-1-(4-methylphenyl)pyrrole-2,5-dione is Cc1ccc(N2C(=O)C(Cl)=C(Nc3ccc(C)c(Cl)c3)C2=O)cc1.
What is the InChIKey of 3-chloro-4-(3-chloro-4-methylanilino)-1-(4-methylphenyl)pyrrole-2,5-dione?
The InChIKey is PUEFBUWSTGLQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O2/c1-10-3-7-13(8-4-10)22-17(23)15(20)16(18(22)24)21-12-6-5-11(2)14(19)9-12/h3-9,21H,1-2H3.
What are the key properties of 3-chloro-4-(3-chloro-4-methylanilino)-1-(4-methylphenyl)pyrrole-2,5-dione?
3-chloro-4-(3-chloro-4-methylanilino)-1-(4-methylphenyl)pyrrole-2,5-dione has a molecular weight of 361.23 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(3-chloro-4-methylanilino)-1-(4-methylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 1033955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).