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

C19H14F3NO2 — CID 71086534

IUPAC3,4-dimethyl-1-[3-[3-(trifluoromethyl)phenyl]phenyl]pyrrole-2,5-dione
SMILESCC1=C(C)C(=O)N(c2cccc(-c3cccc(C(F)(F)F)c3)c2)C1=O
InChIInChI=1S/C19H14F3NO2/c1-11-12(2)18(25)23(17(11)24)16-8-4-6-14(10-16)13-5-3-7-15(9-13)19(20,21)22/h3-10H,1-2H3
InChIKeyNUMNJIQBGPYAAA-UHFFFAOYSA-N
MW345.32 g/mol
LogP4.58
Rot. Bonds2

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

3,4-dimethyl-1-[3-[3-(trifluoromethyl)phenyl]phenyl]pyrrole-2,5-dione (PubChem CID 71086534) has the molecular formula C19H14F3NO2 and a molecular weight of 345.32 g/mol. Its IUPAC name is 3,4-dimethyl-1-[3-[3-(trifluoromethyl)phenyl]phenyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3,4-dimethyl-1-[3-[3-(trifluoromethyl)phenyl]phenyl]pyrrole-2,5-dione
PubChem CID71086534
Molecular FormulaC19H14F3NO2
Molecular Weight345.32 g/mol
Exact Mass345.10
IUPAC Name3,4-dimethyl-1-[3-[3-(trifluoromethyl)phenyl]phenyl]pyrrole-2,5-dione
SMILESCC1=C(C)C(=O)N(c2cccc(-c3cccc(C(F)(F)F)c3)c2)C1=O
InChIInChI=1S/C19H14F3NO2/c1-11-12(2)18(25)23(17(11)24)16-8-4-6-14(10-16)13-5-3-7-15(9-13)19(20,21)22/h3-10H,1-2H3
InChIKeyNUMNJIQBGPYAAA-UHFFFAOYSA-N
XLogP4.58
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 54.58
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

2,8-dimethyl-5,11-bis[3-(trifluoromethyl)phenyl]-5,11-diaza-2,8-diarsatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-4,6,10,12-tetrone
CID 102195126
1-(3-methylphenyl)-3-phenyl-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione
CID 110595609
1-[3-(2-tert-butylperoxypropan-2-yl)phenyl]-3,4-dimethylpyrrole-2,5-dione
CID 57135068
(3aR,7aR)-5,6-dimethyl-2-[3-(trifluoromethyl)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 695187
3-methyl-5-methylidene-1-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 10400913
3-(2,4-dimethylphenyl)-4-pyrrolidin-1-yl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 110579448
3-(N-ethylanilino)-4-phenyl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 110560617
4,5,6,7-tetrachloro-2-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]isoindole-1,3-dione
CID 53233695
3-(3,4-dimethylphenyl)-4-ethylsulfanyl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 110549823
3-(2-hydroxyethylsulfanyl)-4-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 110573499
N-methyl-2-phenyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-thiadiazol-5-imine
CID 175441066
6-[3-(trifluoromethyl)phenyl]-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione
CID 3602715

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-[3-[3-(trifluoromethyl)phenyl]phenyl]pyrrole-2,5-dione?
The IUPAC name of 3,4-dimethyl-1-[3-[3-(trifluoromethyl)phenyl]phenyl]pyrrole-2,5-dione (CID 71086534) is 3,4-dimethyl-1-[3-[3-(trifluoromethyl)phenyl]phenyl]pyrrole-2,5-dione.
What is the SMILES notation for 3,4-dimethyl-1-[3-[3-(trifluoromethyl)phenyl]phenyl]pyrrole-2,5-dione?
The canonical SMILES for 3,4-dimethyl-1-[3-[3-(trifluoromethyl)phenyl]phenyl]pyrrole-2,5-dione is CC1=C(C)C(=O)N(c2cccc(-c3cccc(C(F)(F)F)c3)c2)C1=O.
What is the InChIKey of 3,4-dimethyl-1-[3-[3-(trifluoromethyl)phenyl]phenyl]pyrrole-2,5-dione?
The InChIKey is NUMNJIQBGPYAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3NO2/c1-11-12(2)18(25)23(17(11)24)16-8-4-6-14(10-16)13-5-3-7-15(9-13)19(20,21)22/h3-10H,1-2H3.
What are the key properties of 3,4-dimethyl-1-[3-[3-(trifluoromethyl)phenyl]phenyl]pyrrole-2,5-dione?
3,4-dimethyl-1-[3-[3-(trifluoromethyl)phenyl]phenyl]pyrrole-2,5-dione has a molecular weight of 345.32 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-[3-[3-(trifluoromethyl)phenyl]phenyl]pyrrole-2,5-dione is sourced from PubChem (CID 71086534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).