1-(4-bromophenyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-one

C16H12BrF3N2O — CID 118368378

IUPAC1-(4-bromophenyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-one
SMILESO=C1C(c2cccc(C(F)(F)F)n2)CCN1c1ccc(Br)cc1
InChIInChI=1S/C16H12BrF3N2O/c17-10-4-6-11(7-5-10)22-9-8-12(15(22)23)13-2-1-3-14(21-13)16(18,19)20/h1-7,12H,8-9H2
InChIKeyGQRDQZJGIRKNOV-UHFFFAOYSA-N
MW385.18 g/mol
LogP4.38
Rot. Bonds2

About 1-(4-bromophenyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-one

1-(4-bromophenyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-one (PubChem CID 118368378) has the molecular formula C16H12BrF3N2O and a molecular weight of 385.18 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-one
PubChem CID118368378
Molecular FormulaC16H12BrF3N2O
Molecular Weight385.18 g/mol
Exact Mass384.01
IUPAC Name1-(4-bromophenyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-one
SMILESO=C1C(c2cccc(C(F)(F)F)n2)CCN1c1ccc(Br)cc1
InChIInChI=1S/C16H12BrF3N2O/c17-10-4-6-11(7-5-10)22-9-8-12(15(22)23)13-2-1-3-14(21-13)16(18,19)20/h1-7,12H,8-9H2
InChIKeyGQRDQZJGIRKNOV-UHFFFAOYSA-N
XLogP4.38
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.18
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-one?
The IUPAC name of 1-(4-bromophenyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-one (CID 118368378) is 1-(4-bromophenyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-one.
What is the SMILES notation for 1-(4-bromophenyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-one?
The canonical SMILES for 1-(4-bromophenyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-one is O=C1C(c2cccc(C(F)(F)F)n2)CCN1c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-one?
The InChIKey is GQRDQZJGIRKNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrF3N2O/c17-10-4-6-11(7-5-10)22-9-8-12(15(22)23)13-2-1-3-14(21-13)16(18,19)20/h1-7,12H,8-9H2.
What are the key properties of 1-(4-bromophenyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-one?
1-(4-bromophenyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-one has a molecular weight of 385.18 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-one is sourced from PubChem (CID 118368378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).