3-chloro-1-[2-(4-chlorophenyl)ethyl]-4-(2,4-dichlorophenyl)pyrrole-2,5-dione

C18H11Cl4NO2 — CID 110583929

IUPAC3-chloro-1-[2-(4-chlorophenyl)ethyl]-4-(2,4-dichlorophenyl)pyrrole-2,5-dione
SMILESO=C1C(Cl)=C(c2ccc(Cl)cc2Cl)C(=O)N1CCc1ccc(Cl)cc1
InChIInChI=1S/C18H11Cl4NO2/c19-11-3-1-10(2-4-11)7-8-23-17(24)15(16(22)18(23)25)13-6-5-12(20)9-14(13)21/h1-6,9H,7-8H2
InChIKeyHZWNXWITQAKOPR-UHFFFAOYSA-N
MW415.10 g/mol
LogP5.21
Rot. Bonds4

About 3-chloro-1-[2-(4-chlorophenyl)ethyl]-4-(2,4-dichlorophenyl)pyrrole-2,5-dione

3-chloro-1-[2-(4-chlorophenyl)ethyl]-4-(2,4-dichlorophenyl)pyrrole-2,5-dione (PubChem CID 110583929) has the molecular formula C18H11Cl4NO2 and a molecular weight of 415.10 g/mol. Its IUPAC name is 3-chloro-1-[2-(4-chlorophenyl)ethyl]-4-(2,4-dichlorophenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-chloro-1-[2-(4-chlorophenyl)ethyl]-4-(2,4-dichlorophenyl)pyrrole-2,5-dione
PubChem CID110583929
Molecular FormulaC18H11Cl4NO2
Molecular Weight415.10 g/mol
Exact Mass412.95
IUPAC Name3-chloro-1-[2-(4-chlorophenyl)ethyl]-4-(2,4-dichlorophenyl)pyrrole-2,5-dione
SMILESO=C1C(Cl)=C(c2ccc(Cl)cc2Cl)C(=O)N1CCc1ccc(Cl)cc1
InChIInChI=1S/C18H11Cl4NO2/c19-11-3-1-10(2-4-11)7-8-23-17(24)15(16(22)18(23)25)13-6-5-12(20)9-14(13)21/h1-6,9H,7-8H2
InChIKeyHZWNXWITQAKOPR-UHFFFAOYSA-N
XLogP5.21
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.10
LogP ≤ 55.21
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

3-(2,4-dichlorophenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxypyrrole-2,5-dione
CID 110581702
1-(4-butylphenyl)-3-chloro-4-(2,4-dichlorophenyl)pyrrole-2,5-dione
CID 110583993
N-[4-[4-chloro-1-[2-(4-chlorophenyl)ethyl]-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110583537
3-(4-chlorophenyl)sulfanyl-4-(2,4-dichlorophenyl)-1-pentylpyrrole-2,5-dione
CID 110568096
3-(2,4-dichlorophenyl)-4-ethylsulfanyl-1-octylpyrrole-2,5-dione
CID 110568582
1-[2-(4-chlorophenyl)ethyl]-3-(2,4-dimethylphenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110578010
3-(4-chlorophenyl)-1-[2-(4-chlorophenyl)ethyl]-4-propan-2-ylsulfanylpyrrole-2,5-dione
CID 110569152
1-[2-(4-chlorophenyl)ethyl]-3-hydroxy-4-thiophen-2-ylpyrrole-2,5-dione
CID 110582751
1-benzyl-3-benzylsulfanyl-4-(2,4-dichlorophenyl)pyrrole-2,5-dione
CID 110568071
1-[2-(4-chlorophenyl)ethyl]-3-(2,4-dimethylphenyl)-4-(4-ethylpiperazin-1-yl)pyrrole-2,5-dione
CID 110578002
3-(2,4-dichlorophenyl)-4-ethylsulfanyl-1-(2-propan-2-yloxyethyl)pyrrole-2,5-dione
CID 110568298
3-(2,4-dichlorophenyl)-4-(4-ethylpiperazin-1-yl)-1-propylpyrrole-2,5-dione
CID 110568143

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-[2-(4-chlorophenyl)ethyl]-4-(2,4-dichlorophenyl)pyrrole-2,5-dione?
The IUPAC name of 3-chloro-1-[2-(4-chlorophenyl)ethyl]-4-(2,4-dichlorophenyl)pyrrole-2,5-dione (CID 110583929) is 3-chloro-1-[2-(4-chlorophenyl)ethyl]-4-(2,4-dichlorophenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-chloro-1-[2-(4-chlorophenyl)ethyl]-4-(2,4-dichlorophenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-chloro-1-[2-(4-chlorophenyl)ethyl]-4-(2,4-dichlorophenyl)pyrrole-2,5-dione is O=C1C(Cl)=C(c2ccc(Cl)cc2Cl)C(=O)N1CCc1ccc(Cl)cc1.
What is the InChIKey of 3-chloro-1-[2-(4-chlorophenyl)ethyl]-4-(2,4-dichlorophenyl)pyrrole-2,5-dione?
The InChIKey is HZWNXWITQAKOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl4NO2/c19-11-3-1-10(2-4-11)7-8-23-17(24)15(16(22)18(23)25)13-6-5-12(20)9-14(13)21/h1-6,9H,7-8H2.
What are the key properties of 3-chloro-1-[2-(4-chlorophenyl)ethyl]-4-(2,4-dichlorophenyl)pyrrole-2,5-dione?
3-chloro-1-[2-(4-chlorophenyl)ethyl]-4-(2,4-dichlorophenyl)pyrrole-2,5-dione has a molecular weight of 415.10 g/mol, XLogP of 5.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-[2-(4-chlorophenyl)ethyl]-4-(2,4-dichlorophenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110583929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).