4-ethyl-3-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one

C19H17F4NO — CID 18772493

IUPAC4-ethyl-3-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESCCC1CN(c2cccc(C(F)(F)F)c2)C(=O)C1c1cccc(F)c1
InChIInChI=1S/C19H17F4NO/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/h3-10,12,17H,2,11H2,1H3
InChIKeyBOYAYDCAQXMQSM-UHFFFAOYSA-N
MW351.34 g/mol
LogP5.00
Rot. Bonds3

About 4-ethyl-3-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one

4-ethyl-3-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one (PubChem CID 18772493) has the molecular formula C19H17F4NO and a molecular weight of 351.34 g/mol. Its IUPAC name is 4-ethyl-3-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethyl-3-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
PubChem CID18772493
Molecular FormulaC19H17F4NO
Molecular Weight351.34 g/mol
Exact Mass351.12
IUPAC Name4-ethyl-3-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESCCC1CN(c2cccc(C(F)(F)F)c2)C(=O)C1c1cccc(F)c1
InChIInChI=1S/C19H17F4NO/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/h3-10,12,17H,2,11H2,1H3
InChIKeyBOYAYDCAQXMQSM-UHFFFAOYSA-N
XLogP5.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.34
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The IUPAC name of 4-ethyl-3-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one (CID 18772493) is 4-ethyl-3-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 4-ethyl-3-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 4-ethyl-3-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one is CCC1CN(c2cccc(C(F)(F)F)c2)C(=O)C1c1cccc(F)c1.
What is the InChIKey of 4-ethyl-3-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The InChIKey is BOYAYDCAQXMQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F4NO/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/h3-10,12,17H,2,11H2,1H3.
What are the key properties of 4-ethyl-3-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one?
4-ethyl-3-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one has a molecular weight of 351.34 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 18772493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).