3-(3,5-difluoro-4-methylanilino)-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione

C18H11F5N2O2 — CID 165061086

IUPAC3-(3,5-difluoro-4-methylanilino)-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
SMILESCc1c(F)cc(NC2=CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1F
InChIInChI=1S/C18H11F5N2O2/c1-9-13(19)6-11(7-14(9)20)24-15-8-16(26)25(17(15)27)12-4-2-3-10(5-12)18(21,22)23/h2-8,24H,1H3
InChIKeyPZMITCUKLGVACO-UHFFFAOYSA-N
MW382.29 g/mol
LogP4.16
Rot. Bonds3

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

3-(3,5-difluoro-4-methylanilino)-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione (PubChem CID 165061086) has the molecular formula C18H11F5N2O2 and a molecular weight of 382.29 g/mol. Its IUPAC name is 3-(3,5-difluoro-4-methylanilino)-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(3,5-difluoro-4-methylanilino)-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
PubChem CID165061086
Molecular FormulaC18H11F5N2O2
Molecular Weight382.29 g/mol
Exact Mass382.07
IUPAC Name3-(3,5-difluoro-4-methylanilino)-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
SMILESCc1c(F)cc(NC2=CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1F
InChIInChI=1S/C18H11F5N2O2/c1-9-13(19)6-11(7-14(9)20)24-15-8-16(26)25(17(15)27)12-4-2-3-10(5-12)18(21,22)23/h2-8,24H,1H3
InChIKeyPZMITCUKLGVACO-UHFFFAOYSA-N
XLogP4.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.29
LogP ≤ 54.16
H-Bond Donors ≤ 51
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-(3,5-difluoro-4-methylanilino)-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione?
The IUPAC name of 3-(3,5-difluoro-4-methylanilino)-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione (CID 165061086) is 3-(3,5-difluoro-4-methylanilino)-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione.
What is the SMILES notation for 3-(3,5-difluoro-4-methylanilino)-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione?
The canonical SMILES for 3-(3,5-difluoro-4-methylanilino)-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione is Cc1c(F)cc(NC2=CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1F.
What is the InChIKey of 3-(3,5-difluoro-4-methylanilino)-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione?
The InChIKey is PZMITCUKLGVACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F5N2O2/c1-9-13(19)6-11(7-14(9)20)24-15-8-16(26)25(17(15)27)12-4-2-3-10(5-12)18(21,22)23/h2-8,24H,1H3.
What are the key properties of 3-(3,5-difluoro-4-methylanilino)-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione?
3-(3,5-difluoro-4-methylanilino)-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione has a molecular weight of 382.29 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluoro-4-methylanilino)-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione is sourced from PubChem (CID 165061086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).