1-(4-bromo-3-fluorophenyl)-3-(3,4-difluorophenyl)pyrrolidin-2-one

C16H11BrF3NO — CID 118368403

IUPAC1-(4-bromo-3-fluorophenyl)-3-(3,4-difluorophenyl)pyrrolidin-2-one
SMILESO=C1C(c2ccc(F)c(F)c2)CCN1c1ccc(Br)c(F)c1
InChIInChI=1S/C16H11BrF3NO/c17-12-3-2-10(8-14(12)19)21-6-5-11(16(21)22)9-1-4-13(18)15(20)7-9/h1-4,7-8,11H,5-6H2
InChIKeyCSYOLVARNPGCLZ-UHFFFAOYSA-N
MW370.17 g/mol
LogP4.39
Rot. Bonds2

About 1-(4-bromo-3-fluorophenyl)-3-(3,4-difluorophenyl)pyrrolidin-2-one

1-(4-bromo-3-fluorophenyl)-3-(3,4-difluorophenyl)pyrrolidin-2-one (PubChem CID 118368403) has the molecular formula C16H11BrF3NO and a molecular weight of 370.17 g/mol. Its IUPAC name is 1-(4-bromo-3-fluorophenyl)-3-(3,4-difluorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-bromo-3-fluorophenyl)-3-(3,4-difluorophenyl)pyrrolidin-2-one
PubChem CID118368403
Molecular FormulaC16H11BrF3NO
Molecular Weight370.17 g/mol
Exact Mass369.00
IUPAC Name1-(4-bromo-3-fluorophenyl)-3-(3,4-difluorophenyl)pyrrolidin-2-one
SMILESO=C1C(c2ccc(F)c(F)c2)CCN1c1ccc(Br)c(F)c1
InChIInChI=1S/C16H11BrF3NO/c17-12-3-2-10(8-14(12)19)21-6-5-11(16(21)22)9-1-4-13(18)15(20)7-9/h1-4,7-8,11H,5-6H2
InChIKeyCSYOLVARNPGCLZ-UHFFFAOYSA-N
XLogP4.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.17
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-fluorophenyl)-3-(3,4-difluorophenyl)pyrrolidin-2-one?
The IUPAC name of 1-(4-bromo-3-fluorophenyl)-3-(3,4-difluorophenyl)pyrrolidin-2-one (CID 118368403) is 1-(4-bromo-3-fluorophenyl)-3-(3,4-difluorophenyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(4-bromo-3-fluorophenyl)-3-(3,4-difluorophenyl)pyrrolidin-2-one?
The canonical SMILES for 1-(4-bromo-3-fluorophenyl)-3-(3,4-difluorophenyl)pyrrolidin-2-one is O=C1C(c2ccc(F)c(F)c2)CCN1c1ccc(Br)c(F)c1.
What is the InChIKey of 1-(4-bromo-3-fluorophenyl)-3-(3,4-difluorophenyl)pyrrolidin-2-one?
The InChIKey is CSYOLVARNPGCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrF3NO/c17-12-3-2-10(8-14(12)19)21-6-5-11(16(21)22)9-1-4-13(18)15(20)7-9/h1-4,7-8,11H,5-6H2.
What are the key properties of 1-(4-bromo-3-fluorophenyl)-3-(3,4-difluorophenyl)pyrrolidin-2-one?
1-(4-bromo-3-fluorophenyl)-3-(3,4-difluorophenyl)pyrrolidin-2-one has a molecular weight of 370.17 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-fluorophenyl)-3-(3,4-difluorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 118368403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).