1-(3-methylphenyl)-3-phenyl-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione

C24H17F3N2O2 — CID 110595609

IUPAC1-(3-methylphenyl)-3-phenyl-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione
SMILESCc1cccc(N2C(=O)C(Nc3cccc(C(F)(F)F)c3)=C(c3ccccc3)C2=O)c1
InChIInChI=1S/C24H17F3N2O2/c1-15-7-5-12-19(13-15)29-22(30)20(16-8-3-2-4-9-16)21(23(29)31)28-18-11-6-10-17(14-18)24(25,26)27/h2-14,28H,1H3
InChIKeyKKDOLFVGSBJTFH-UHFFFAOYSA-N
MW422.41 g/mol
LogP5.41
Rot. Bonds4

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

1-(3-methylphenyl)-3-phenyl-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione (PubChem CID 110595609) has the molecular formula C24H17F3N2O2 and a molecular weight of 422.41 g/mol. Its IUPAC name is 1-(3-methylphenyl)-3-phenyl-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(3-methylphenyl)-3-phenyl-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione
PubChem CID110595609
Molecular FormulaC24H17F3N2O2
Molecular Weight422.41 g/mol
Exact Mass422.12
IUPAC Name1-(3-methylphenyl)-3-phenyl-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione
SMILESCc1cccc(N2C(=O)C(Nc3cccc(C(F)(F)F)c3)=C(c3ccccc3)C2=O)c1
InChIInChI=1S/C24H17F3N2O2/c1-15-7-5-12-19(13-15)29-22(30)20(16-8-3-2-4-9-16)21(23(29)31)28-18-11-6-10-17(14-18)24(25,26)27/h2-14,28H,1H3
InChIKeyKKDOLFVGSBJTFH-UHFFFAOYSA-N
XLogP5.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.41
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethylphenyl)-3-phenyl-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione
CID 110595340
N-[4-[2,5-dioxo-1-phenyl-4-[3-(trifluoromethyl)anilino]pyrrol-3-yl]phenyl]acetamide
CID 110596724
1-(2-methoxy-5-methylphenyl)-3-phenyl-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione
CID 110595966
3-(3,4-dimethoxyphenyl)-1-phenyl-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione
CID 110597215
3-(1,3-benzodioxol-5-ylamino)-1-(3-methylphenyl)-4-phenylpyrrole-2,5-dione
CID 110561275
3-(3-fluoroanilino)-4-phenyl-1-[4-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 110596146
3-anilino-4-(4-ethoxyphenyl)-1-(3-methylphenyl)pyrrole-2,5-dione
CID 110588333
3-(3-methoxyanilino)-4-phenyl-1-[4-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 110596141
3-(3-methoxyanilino)-4-(4-methoxyphenyl)-1-(3-methylphenyl)pyrrole-2,5-dione
CID 110593580
1-(3-methoxyphenyl)-3-phenyl-4-[3-(trifluoromethoxy)anilino]pyrrole-2,5-dione
CID 110593979
1-(2,4-dimethoxyphenyl)-3-phenyl-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione
CID 110595630
1-(3-fluorophenyl)-3-(3-methoxyanilino)-4-phenylpyrrole-2,5-dione
CID 110594991

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-3-phenyl-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione?
The IUPAC name of 1-(3-methylphenyl)-3-phenyl-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione (CID 110595609) is 1-(3-methylphenyl)-3-phenyl-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione.
What is the SMILES notation for 1-(3-methylphenyl)-3-phenyl-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione?
The canonical SMILES for 1-(3-methylphenyl)-3-phenyl-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione is Cc1cccc(N2C(=O)C(Nc3cccc(C(F)(F)F)c3)=C(c3ccccc3)C2=O)c1.
What is the InChIKey of 1-(3-methylphenyl)-3-phenyl-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione?
The InChIKey is KKDOLFVGSBJTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3N2O2/c1-15-7-5-12-19(13-15)29-22(30)20(16-8-3-2-4-9-16)21(23(29)31)28-18-11-6-10-17(14-18)24(25,26)27/h2-14,28H,1H3.
What are the key properties of 1-(3-methylphenyl)-3-phenyl-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione?
1-(3-methylphenyl)-3-phenyl-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione has a molecular weight of 422.41 g/mol, XLogP of 5.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-3-phenyl-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione is sourced from PubChem (CID 110595609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).