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

C20H16Cl3NO2 — CID 110583993

IUPAC1-(4-butylphenyl)-3-chloro-4-(2,4-dichlorophenyl)pyrrole-2,5-dione
SMILESCCCCc1ccc(N2C(=O)C(Cl)=C(c3ccc(Cl)cc3Cl)C2=O)cc1
InChIInChI=1S/C20H16Cl3NO2/c1-2-3-4-12-5-8-14(9-6-12)24-19(25)17(18(23)20(24)26)15-10-7-13(21)11-16(15)22/h5-11H,2-4H2,1H3
InChIKeyIZVGIHLXVWVDKM-UHFFFAOYSA-N
MW408.71 g/mol
LogP5.86
Rot. Bonds5

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

1-(4-butylphenyl)-3-chloro-4-(2,4-dichlorophenyl)pyrrole-2,5-dione (PubChem CID 110583993) has the molecular formula C20H16Cl3NO2 and a molecular weight of 408.71 g/mol. Its IUPAC name is 1-(4-butylphenyl)-3-chloro-4-(2,4-dichlorophenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(4-butylphenyl)-3-chloro-4-(2,4-dichlorophenyl)pyrrole-2,5-dione
PubChem CID110583993
Molecular FormulaC20H16Cl3NO2
Molecular Weight408.71 g/mol
Exact Mass407.02
IUPAC Name1-(4-butylphenyl)-3-chloro-4-(2,4-dichlorophenyl)pyrrole-2,5-dione
SMILESCCCCc1ccc(N2C(=O)C(Cl)=C(c3ccc(Cl)cc3Cl)C2=O)cc1
InChIInChI=1S/C20H16Cl3NO2/c1-2-3-4-12-5-8-14(9-6-12)24-19(25)17(18(23)20(24)26)15-10-7-13(21)11-16(15)22/h5-11H,2-4H2,1H3
InChIKeyIZVGIHLXVWVDKM-UHFFFAOYSA-N
XLogP5.86
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.71
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-(4-heptylphenyl)isoindole-1,3-dione
CID 59549842
5-chloro-2-[4-(4-octylphenyl)phenyl]isoindole-1,3-dione
CID 46494812
3-chloro-4-(2,4-dichlorophenyl)-1-(3-propoxyphenyl)pyrrole-2,5-dione
CID 110583912
3-chloro-4-(2,4-dichlorophenyl)-1-[4-(trifluoromethoxy)phenyl]pyrrole-2,5-dione
CID 110583914
3-chloro-1-[2-(4-chlorophenyl)ethyl]-4-(2,4-dichlorophenyl)pyrrole-2,5-dione
CID 110583929
(3aS,6aR)-5-(4-butylphenyl)-3-(2,4-dichlorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 27739419
2-(4-butylphenyl)-4,5,6,7-tetrachloroisoindole-1,3-dione
CID 23991028
1-(4-butylphenyl)-3-chloro-4-[4-(2-methylpropoxy)phenyl]pyrrole-2,5-dione
CID 110582555
1-(4-butylphenyl)-3,4-diiodopyrrole-2,5-dione
CID 100958944
3-(2,4-dichlorophenyl)-4-hydroxy-1-(4-methylphenyl)pyrrole-2,5-dione
CID 110581784
3-chloro-1-(5-chloro-2-methoxyphenyl)-4-(2,4-dichlorophenyl)pyrrole-2,5-dione
CID 110584016
13-(4-butylphenyl)-6-(4-tert-butylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 59809407

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-3-chloro-4-(2,4-dichlorophenyl)pyrrole-2,5-dione?
The IUPAC name of 1-(4-butylphenyl)-3-chloro-4-(2,4-dichlorophenyl)pyrrole-2,5-dione (CID 110583993) is 1-(4-butylphenyl)-3-chloro-4-(2,4-dichlorophenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(4-butylphenyl)-3-chloro-4-(2,4-dichlorophenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(4-butylphenyl)-3-chloro-4-(2,4-dichlorophenyl)pyrrole-2,5-dione is CCCCc1ccc(N2C(=O)C(Cl)=C(c3ccc(Cl)cc3Cl)C2=O)cc1.
What is the InChIKey of 1-(4-butylphenyl)-3-chloro-4-(2,4-dichlorophenyl)pyrrole-2,5-dione?
The InChIKey is IZVGIHLXVWVDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl3NO2/c1-2-3-4-12-5-8-14(9-6-12)24-19(25)17(18(23)20(24)26)15-10-7-13(21)11-16(15)22/h5-11H,2-4H2,1H3.
What are the key properties of 1-(4-butylphenyl)-3-chloro-4-(2,4-dichlorophenyl)pyrrole-2,5-dione?
1-(4-butylphenyl)-3-chloro-4-(2,4-dichlorophenyl)pyrrole-2,5-dione has a molecular weight of 408.71 g/mol, XLogP of 5.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-3-chloro-4-(2,4-dichlorophenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110583993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).