3-ethyl-4-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one

C19H15F4NO — CID 19097808

IUPAC3-ethyl-4-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
SMILESCCC1=C(c2cccc(F)c2)C(=O)N(c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C19H15F4NO/c1-2-12-11-24(16-8-4-6-14(10-16)19(21,22)23)18(25)17(12)13-5-3-7-15(20)9-13/h3-10H,2,11H2,1H3
InChIKeyGAHCOYRWBLLYBA-UHFFFAOYSA-N
MW349.33 g/mol
LogP5.05
Rot. Bonds3

About 3-ethyl-4-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one

3-ethyl-4-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one (PubChem CID 19097808) has the molecular formula C19H15F4NO and a molecular weight of 349.33 g/mol. Its IUPAC name is 3-ethyl-4-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-ethyl-4-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
PubChem CID19097808
Molecular FormulaC19H15F4NO
Molecular Weight349.33 g/mol
Exact Mass349.11
IUPAC Name3-ethyl-4-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
SMILESCCC1=C(c2cccc(F)c2)C(=O)N(c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C19H15F4NO/c1-2-12-11-24(16-8-4-6-14(10-16)19(21,22)23)18(25)17(12)13-5-3-7-15(20)9-13/h3-10H,2,11H2,1H3
InChIKeyGAHCOYRWBLLYBA-UHFFFAOYSA-N
XLogP5.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.33
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(4-fluorophenyl)methyl]-3-methyl-1-[3-(trifluoromethyl)phenyl]piperazin-2-one
CID 46035767
(3R,4R)-4-ethyl-1,3-bis[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 71351790
4-ethyl-1,3-bis[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 71341015
5-methyl-1-phenyl-3-[3-(trifluoromethyl)phenyl]-1,3-diazinan-2-one
CID 13284556
3-(N-ethylanilino)-4-phenyl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 110560617
3,4-dimethyl-1-[3-[3-(trifluoromethyl)phenyl]phenyl]pyrrole-2,5-dione
CID 71086534
5-methyl-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-one
CID 143901480
3-(3,4-dimethylphenyl)-4-ethylsulfanyl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 110549823
[4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-yl] acetate
CID 154239323
1-[3-(trifluoromethyl)phenyl]-1,3-diazinane-2,4-dione
CID 70692250
1-(4-ethylphenyl)-3-phenyl-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione
CID 110595340
5-N-ethyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-2,5-diimine
CID 18634889

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one?
The IUPAC name of 3-ethyl-4-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one (CID 19097808) is 3-ethyl-4-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one.
What is the SMILES notation for 3-ethyl-4-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one?
The canonical SMILES for 3-ethyl-4-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one is CCC1=C(c2cccc(F)c2)C(=O)N(c2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 3-ethyl-4-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one?
The InChIKey is GAHCOYRWBLLYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F4NO/c1-2-12-11-24(16-8-4-6-14(10-16)19(21,22)23)18(25)17(12)13-5-3-7-15(20)9-13/h3-10H,2,11H2,1H3.
What are the key properties of 3-ethyl-4-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one?
3-ethyl-4-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one has a molecular weight of 349.33 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one is sourced from PubChem (CID 19097808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).