3-chloro-4-(2,4-dichlorophenyl)-1-[4-(trifluoromethoxy)phenyl]pyrrole-2,5-dione

C17H7Cl3F3NO3 — CID 110583914

IUPAC3-chloro-4-(2,4-dichlorophenyl)-1-[4-(trifluoromethoxy)phenyl]pyrrole-2,5-dione
SMILESO=C1C(Cl)=C(c2ccc(Cl)cc2Cl)C(=O)N1c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H7Cl3F3NO3/c18-8-1-6-11(12(19)7-8)13-14(20)16(26)24(15(13)25)9-2-4-10(5-3-9)27-17(21,22)23/h1-7H
InChIKeyLELGEOMVUBAURM-UHFFFAOYSA-N
MW436.60 g/mol
LogP5.42
Rot. Bonds3

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

3-chloro-4-(2,4-dichlorophenyl)-1-[4-(trifluoromethoxy)phenyl]pyrrole-2,5-dione (PubChem CID 110583914) has the molecular formula C17H7Cl3F3NO3 and a molecular weight of 436.60 g/mol. Its IUPAC name is 3-chloro-4-(2,4-dichlorophenyl)-1-[4-(trifluoromethoxy)phenyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-chloro-4-(2,4-dichlorophenyl)-1-[4-(trifluoromethoxy)phenyl]pyrrole-2,5-dione
PubChem CID110583914
Molecular FormulaC17H7Cl3F3NO3
Molecular Weight436.60 g/mol
Exact Mass434.94
IUPAC Name3-chloro-4-(2,4-dichlorophenyl)-1-[4-(trifluoromethoxy)phenyl]pyrrole-2,5-dione
SMILESO=C1C(Cl)=C(c2ccc(Cl)cc2Cl)C(=O)N1c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H7Cl3F3NO3/c18-8-1-6-11(12(19)7-8)13-14(20)16(26)24(15(13)25)9-2-4-10(5-3-9)27-17(21,22)23/h1-7H
InChIKeyLELGEOMVUBAURM-UHFFFAOYSA-N
XLogP5.42
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.60
LogP ≤ 55.42
H-Bond Donors ≤ 50
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-(2,4-dichlorophenyl)-1-[4-(trifluoromethoxy)phenyl]pyrrole-2,5-dione?
The IUPAC name of 3-chloro-4-(2,4-dichlorophenyl)-1-[4-(trifluoromethoxy)phenyl]pyrrole-2,5-dione (CID 110583914) is 3-chloro-4-(2,4-dichlorophenyl)-1-[4-(trifluoromethoxy)phenyl]pyrrole-2,5-dione.
What is the SMILES notation for 3-chloro-4-(2,4-dichlorophenyl)-1-[4-(trifluoromethoxy)phenyl]pyrrole-2,5-dione?
The canonical SMILES for 3-chloro-4-(2,4-dichlorophenyl)-1-[4-(trifluoromethoxy)phenyl]pyrrole-2,5-dione is O=C1C(Cl)=C(c2ccc(Cl)cc2Cl)C(=O)N1c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 3-chloro-4-(2,4-dichlorophenyl)-1-[4-(trifluoromethoxy)phenyl]pyrrole-2,5-dione?
The InChIKey is LELGEOMVUBAURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H7Cl3F3NO3/c18-8-1-6-11(12(19)7-8)13-14(20)16(26)24(15(13)25)9-2-4-10(5-3-9)27-17(21,22)23/h1-7H.
What are the key properties of 3-chloro-4-(2,4-dichlorophenyl)-1-[4-(trifluoromethoxy)phenyl]pyrrole-2,5-dione?
3-chloro-4-(2,4-dichlorophenyl)-1-[4-(trifluoromethoxy)phenyl]pyrrole-2,5-dione has a molecular weight of 436.60 g/mol, XLogP of 5.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2,4-dichlorophenyl)-1-[4-(trifluoromethoxy)phenyl]pyrrole-2,5-dione is sourced from PubChem (CID 110583914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).