1-(4-chlorophenyl)-5-(2,4-difluorophenyl)-3-hydroxypyrrolidin-2-one

C16H12ClF2NO2 — CID 69499296

IUPAC1-(4-chlorophenyl)-5-(2,4-difluorophenyl)-3-hydroxypyrrolidin-2-one
SMILESO=C1C(O)CC(c2ccc(F)cc2F)N1c1ccc(Cl)cc1
InChIInChI=1S/C16H12ClF2NO2/c17-9-1-4-11(5-2-9)20-14(8-15(21)16(20)22)12-6-3-10(18)7-13(12)19/h1-7,14-15,21H,8H2
InChIKeyLDPUUYLRSLRZBR-UHFFFAOYSA-N
MW323.73 g/mol
LogP3.46
Rot. Bonds2

About 1-(4-chlorophenyl)-5-(2,4-difluorophenyl)-3-hydroxypyrrolidin-2-one

1-(4-chlorophenyl)-5-(2,4-difluorophenyl)-3-hydroxypyrrolidin-2-one (PubChem CID 69499296) has the molecular formula C16H12ClF2NO2 and a molecular weight of 323.73 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-(2,4-difluorophenyl)-3-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-(2,4-difluorophenyl)-3-hydroxypyrrolidin-2-one
PubChem CID69499296
Molecular FormulaC16H12ClF2NO2
Molecular Weight323.73 g/mol
Exact Mass323.05
IUPAC Name1-(4-chlorophenyl)-5-(2,4-difluorophenyl)-3-hydroxypyrrolidin-2-one
SMILESO=C1C(O)CC(c2ccc(F)cc2F)N1c1ccc(Cl)cc1
InChIInChI=1S/C16H12ClF2NO2/c17-9-1-4-11(5-2-9)20-14(8-15(21)16(20)22)12-6-3-10(18)7-13(12)19/h1-7,14-15,21H,8H2
InChIKeyLDPUUYLRSLRZBR-UHFFFAOYSA-N
XLogP3.46
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.73
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-(2,4-difluorophenyl)-3-hydroxypyrrolidin-2-one?
The IUPAC name of 1-(4-chlorophenyl)-5-(2,4-difluorophenyl)-3-hydroxypyrrolidin-2-one (CID 69499296) is 1-(4-chlorophenyl)-5-(2,4-difluorophenyl)-3-hydroxypyrrolidin-2-one.
What is the SMILES notation for 1-(4-chlorophenyl)-5-(2,4-difluorophenyl)-3-hydroxypyrrolidin-2-one?
The canonical SMILES for 1-(4-chlorophenyl)-5-(2,4-difluorophenyl)-3-hydroxypyrrolidin-2-one is O=C1C(O)CC(c2ccc(F)cc2F)N1c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-5-(2,4-difluorophenyl)-3-hydroxypyrrolidin-2-one?
The InChIKey is LDPUUYLRSLRZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF2NO2/c17-9-1-4-11(5-2-9)20-14(8-15(21)16(20)22)12-6-3-10(18)7-13(12)19/h1-7,14-15,21H,8H2.
What are the key properties of 1-(4-chlorophenyl)-5-(2,4-difluorophenyl)-3-hydroxypyrrolidin-2-one?
1-(4-chlorophenyl)-5-(2,4-difluorophenyl)-3-hydroxypyrrolidin-2-one has a molecular weight of 323.73 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-(2,4-difluorophenyl)-3-hydroxypyrrolidin-2-one is sourced from PubChem (CID 69499296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).