3-chloro-4-(3-chloro-4-methoxyanilino)-1-(2-methoxyphenyl)pyrrole-2,5-dione

C18H14Cl2N2O4 — CID 1180646

IUPAC3-chloro-4-(3-chloro-4-methoxyanilino)-1-(2-methoxyphenyl)pyrrole-2,5-dione
SMILESCOc1ccc(NC2=C(Cl)C(=O)N(c3ccccc3OC)C2=O)cc1Cl
InChIInChI=1S/C18H14Cl2N2O4/c1-25-13-8-7-10(9-11(13)19)21-16-15(20)17(23)22(18(16)24)12-5-3-4-6-14(12)26-2/h3-9,21H,1-2H3
InChIKeyRJGHPKFDDITLJR-UHFFFAOYSA-N
MW393.23 g/mol
LogP3.79
Rot. Bonds5

About 3-chloro-4-(3-chloro-4-methoxyanilino)-1-(2-methoxyphenyl)pyrrole-2,5-dione

3-chloro-4-(3-chloro-4-methoxyanilino)-1-(2-methoxyphenyl)pyrrole-2,5-dione (PubChem CID 1180646) has the molecular formula C18H14Cl2N2O4 and a molecular weight of 393.23 g/mol. Its IUPAC name is 3-chloro-4-(3-chloro-4-methoxyanilino)-1-(2-methoxyphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-chloro-4-(3-chloro-4-methoxyanilino)-1-(2-methoxyphenyl)pyrrole-2,5-dione
PubChem CID1180646
Molecular FormulaC18H14Cl2N2O4
Molecular Weight393.23 g/mol
Exact Mass392.03
IUPAC Name3-chloro-4-(3-chloro-4-methoxyanilino)-1-(2-methoxyphenyl)pyrrole-2,5-dione
SMILESCOc1ccc(NC2=C(Cl)C(=O)N(c3ccccc3OC)C2=O)cc1Cl
InChIInChI=1S/C18H14Cl2N2O4/c1-25-13-8-7-10(9-11(13)19)21-16-15(20)17(23)22(18(16)24)12-5-3-4-6-14(12)26-2/h3-9,21H,1-2H3
InChIKeyRJGHPKFDDITLJR-UHFFFAOYSA-N
XLogP3.79
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.23
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_alk_B(3)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-chloro-4-(4-fluoroanilino)-1-(2-methoxyphenyl)pyrrole-2,5-dione
CID 729503
3-chloro-1-(2-chlorophenyl)-4-(3-methoxyanilino)pyrrole-2,5-dione
CID 1185251
3-(3-chloro-4-methoxyanilino)-4-(4-chlorophenyl)-1-(2-methylphenyl)pyrrole-2,5-dione
CID 110600125
3-(3-chloro-4-methoxyanilino)-1-(2-fluorophenyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110593322
3-(3-chloro-4-methoxyanilino)-1-(4-chlorophenyl)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110598315
3-chloro-4-(5-chloro-2-methoxyanilino)-1-(5-chloro-2-methoxyphenyl)pyrrole-2,5-dione
CID 1180622
3-(3-chloro-4-methoxyanilino)-1-(2,4-difluorophenyl)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110587530
3-(3-chloro-4-methoxyanilino)-4-(4-chlorophenyl)-1-phenylpyrrole-2,5-dione
CID 110599882
3-(3-chloro-4-methoxyanilino)-1-(2,5-dimethylphenyl)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110586964
3-(4-methoxyanilino)-1-(2-methoxyphenyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110593657
3-chloro-4-(5-chloro-2-methoxyanilino)-1-(2,3-dimethylphenyl)pyrrole-2,5-dione
CID 1182466
3-chloro-1-(2-chlorophenyl)-4-(4-iodoanilino)pyrrole-2,5-dione
CID 1187268

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(3-chloro-4-methoxyanilino)-1-(2-methoxyphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-chloro-4-(3-chloro-4-methoxyanilino)-1-(2-methoxyphenyl)pyrrole-2,5-dione (CID 1180646) is 3-chloro-4-(3-chloro-4-methoxyanilino)-1-(2-methoxyphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-chloro-4-(3-chloro-4-methoxyanilino)-1-(2-methoxyphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-chloro-4-(3-chloro-4-methoxyanilino)-1-(2-methoxyphenyl)pyrrole-2,5-dione is COc1ccc(NC2=C(Cl)C(=O)N(c3ccccc3OC)C2=O)cc1Cl.
What is the InChIKey of 3-chloro-4-(3-chloro-4-methoxyanilino)-1-(2-methoxyphenyl)pyrrole-2,5-dione?
The InChIKey is RJGHPKFDDITLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O4/c1-25-13-8-7-10(9-11(13)19)21-16-15(20)17(23)22(18(16)24)12-5-3-4-6-14(12)26-2/h3-9,21H,1-2H3.
What are the key properties of 3-chloro-4-(3-chloro-4-methoxyanilino)-1-(2-methoxyphenyl)pyrrole-2,5-dione?
3-chloro-4-(3-chloro-4-methoxyanilino)-1-(2-methoxyphenyl)pyrrole-2,5-dione has a molecular weight of 393.23 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(3-chloro-4-methoxyanilino)-1-(2-methoxyphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 1180646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).