3-chloro-4-(2-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione

C18H11ClF3NO3 — CID 110583854

IUPAC3-chloro-4-(2-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
SMILESCOc1ccccc1C1=C(Cl)C(=O)N(c2cccc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C18H11ClF3NO3/c1-26-13-8-3-2-7-12(13)14-15(19)17(25)23(16(14)24)11-6-4-5-10(9-11)18(20,21)22/h2-9H,1H3
InChIKeyDQPUVDZBSMBTQV-UHFFFAOYSA-N
MW381.74 g/mol
LogP4.24
Rot. Bonds3

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

3-chloro-4-(2-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione (PubChem CID 110583854) has the molecular formula C18H11ClF3NO3 and a molecular weight of 381.74 g/mol. Its IUPAC name is 3-chloro-4-(2-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-chloro-4-(2-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
PubChem CID110583854
Molecular FormulaC18H11ClF3NO3
Molecular Weight381.74 g/mol
Exact Mass381.04
IUPAC Name3-chloro-4-(2-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
SMILESCOc1ccccc1C1=C(Cl)C(=O)N(c2cccc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C18H11ClF3NO3/c1-26-13-8-3-2-7-12(13)14-15(19)17(25)23(16(14)24)11-6-4-5-10(9-11)18(20,21)22/h2-9H,1H3
InChIKeyDQPUVDZBSMBTQV-UHFFFAOYSA-N
XLogP4.24
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.74
LogP ≤ 54.24
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-1-(3-fluorophenyl)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110583846
3-chloro-4-(2-methoxyphenyl)-1-phenylpyrrole-2,5-dione
CID 110583869
3-(2-methoxyphenyl)-4-phenylsulfanyl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 110566783
3-chloro-4-(3-methoxyanilino)-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 1180917
3-hydroxy-4-(2-methoxyphenyl)-1-[3-(trifluoromethoxy)phenyl]pyrrole-2,5-dione
CID 110581547
3-chloro-1-(4-iodo-2-methylphenyl)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110583908
3-chloro-1-[4-(4-ethylpiperazin-1-yl)phenyl]-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110583791
3-(3-chloro-2-methylanilino)-4-(2-methoxyphenyl)-1-(3-methoxyphenyl)pyrrole-2,5-dione
CID 110597292
(4Z)-4-[(3-methoxyphenyl)methylidene]-2-[3-(trifluoromethyl)phenyl]isoquinoline-1,3-dione
CID 18271497
3-chloro-4-(N-ethylanilino)-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 1180927
3-methylidene-2-[3-(trifluoromethyl)phenyl]isoindol-1-one
CID 14662954
3-chloro-4-(2-methoxyphenyl)-1-propan-2-ylpyrrole-2,5-dione
CID 110583845

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione?
The IUPAC name of 3-chloro-4-(2-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione (CID 110583854) is 3-chloro-4-(2-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione.
What is the SMILES notation for 3-chloro-4-(2-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione?
The canonical SMILES for 3-chloro-4-(2-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione is COc1ccccc1C1=C(Cl)C(=O)N(c2cccc(C(F)(F)F)c2)C1=O.
What is the InChIKey of 3-chloro-4-(2-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione?
The InChIKey is DQPUVDZBSMBTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClF3NO3/c1-26-13-8-3-2-7-12(13)14-15(19)17(25)23(16(14)24)11-6-4-5-10(9-11)18(20,21)22/h2-9H,1H3.
What are the key properties of 3-chloro-4-(2-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione?
3-chloro-4-(2-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione has a molecular weight of 381.74 g/mol, XLogP of 4.24, 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-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione is sourced from PubChem (CID 110583854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).