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

C17H9Cl4NO3 — CID 110584016

IUPAC3-chloro-1-(5-chloro-2-methoxyphenyl)-4-(2,4-dichlorophenyl)pyrrole-2,5-dione
SMILESCOc1ccc(Cl)cc1N1C(=O)C(Cl)=C(c2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C17H9Cl4NO3/c1-25-13-5-3-9(19)7-12(13)22-16(23)14(15(21)17(22)24)10-4-2-8(18)6-11(10)20/h2-7H,1H3
InChIKeyIQRYUNHIDZDOEI-UHFFFAOYSA-N
MW417.08 g/mol
LogP5.18
Rot. Bonds3

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

3-chloro-1-(5-chloro-2-methoxyphenyl)-4-(2,4-dichlorophenyl)pyrrole-2,5-dione (PubChem CID 110584016) has the molecular formula C17H9Cl4NO3 and a molecular weight of 417.08 g/mol. Its IUPAC name is 3-chloro-1-(5-chloro-2-methoxyphenyl)-4-(2,4-dichlorophenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-chloro-1-(5-chloro-2-methoxyphenyl)-4-(2,4-dichlorophenyl)pyrrole-2,5-dione
PubChem CID110584016
Molecular FormulaC17H9Cl4NO3
Molecular Weight417.08 g/mol
Exact Mass414.93
IUPAC Name3-chloro-1-(5-chloro-2-methoxyphenyl)-4-(2,4-dichlorophenyl)pyrrole-2,5-dione
SMILESCOc1ccc(Cl)cc1N1C(=O)C(Cl)=C(c2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C17H9Cl4NO3/c1-25-13-5-3-9(19)7-12(13)22-16(23)14(15(21)17(22)24)10-4-2-8(18)6-11(10)20/h2-7H,1H3
InChIKeyIQRYUNHIDZDOEI-UHFFFAOYSA-N
XLogP5.18
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.08
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-(5-chloro-2-methoxyanilino)-1-(5-chloro-2-methoxyphenyl)pyrrole-2,5-dione
CID 1180622
6-(5-chloro-2-methoxyphenyl)pyrrolo[3,4-b]pyrazine-5,7-dione
CID 20866768
3-(2,4-dichlorophenyl)-1-(2-methoxyphenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione
CID 110568882
1-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110571137
3-(2,4-dichlorophenyl)-4-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110568879
1-(5-chloro-2-methoxyphenyl)-3-(2-methoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110567492
3-chloro-4-(2,4-dichlorophenyl)-1-[4-(trifluoromethoxy)phenyl]pyrrole-2,5-dione
CID 110583914
1-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110571146
3-chloro-4-(2,4-dichlorophenyl)-1-(3-propoxyphenyl)pyrrole-2,5-dione
CID 110583912
1-(5-chloro-2-methoxyphenyl)-3-phenyl-4-propan-2-ylsulfanylpyrrole-2,5-dione
CID 110561632
1-(4-butylphenyl)-3-chloro-4-(2,4-dichlorophenyl)pyrrole-2,5-dione
CID 110583993
1-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110571142

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(5-chloro-2-methoxyphenyl)-4-(2,4-dichlorophenyl)pyrrole-2,5-dione?
The IUPAC name of 3-chloro-1-(5-chloro-2-methoxyphenyl)-4-(2,4-dichlorophenyl)pyrrole-2,5-dione (CID 110584016) is 3-chloro-1-(5-chloro-2-methoxyphenyl)-4-(2,4-dichlorophenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-chloro-1-(5-chloro-2-methoxyphenyl)-4-(2,4-dichlorophenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-chloro-1-(5-chloro-2-methoxyphenyl)-4-(2,4-dichlorophenyl)pyrrole-2,5-dione is COc1ccc(Cl)cc1N1C(=O)C(Cl)=C(c2ccc(Cl)cc2Cl)C1=O.
What is the InChIKey of 3-chloro-1-(5-chloro-2-methoxyphenyl)-4-(2,4-dichlorophenyl)pyrrole-2,5-dione?
The InChIKey is IQRYUNHIDZDOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9Cl4NO3/c1-25-13-5-3-9(19)7-12(13)22-16(23)14(15(21)17(22)24)10-4-2-8(18)6-11(10)20/h2-7H,1H3.
What are the key properties of 3-chloro-1-(5-chloro-2-methoxyphenyl)-4-(2,4-dichlorophenyl)pyrrole-2,5-dione?
3-chloro-1-(5-chloro-2-methoxyphenyl)-4-(2,4-dichlorophenyl)pyrrole-2,5-dione has a molecular weight of 417.08 g/mol, XLogP of 5.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(5-chloro-2-methoxyphenyl)-4-(2,4-dichlorophenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110584016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).