1-[3,5-dichloro-4-[5-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-1-yl]phenyl]pyrrolidine-2,5-dione

C22H18Cl2F2N2O3 — CID 10127790

IUPAC1-[3,5-dichloro-4-[5-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-1-yl]phenyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(Cc2ccc(F)cc2F)CN1c1c(Cl)cc(N2C(=O)CCC2=O)cc1Cl
InChIInChI=1S/C22H18Cl2F2N2O3/c23-16-9-15(28-20(30)5-6-21(28)31)10-17(24)22(16)27-11-12(1-4-19(27)29)7-13-2-3-14(25)8-18(13)26/h2-3,8-10,12H,1,4-7,11H2
InChIKeyVWHASPFDKUTXRG-UHFFFAOYSA-N
MW467.30 g/mol
LogP4.91
Rot. Bonds4

About 1-[3,5-dichloro-4-[5-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-1-yl]phenyl]pyrrolidine-2,5-dione

1-[3,5-dichloro-4-[5-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-1-yl]phenyl]pyrrolidine-2,5-dione (PubChem CID 10127790) has the molecular formula C22H18Cl2F2N2O3 and a molecular weight of 467.30 g/mol. Its IUPAC name is 1-[3,5-dichloro-4-[5-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-1-yl]phenyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[3,5-dichloro-4-[5-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-1-yl]phenyl]pyrrolidine-2,5-dione
PubChem CID10127790
Molecular FormulaC22H18Cl2F2N2O3
Molecular Weight467.30 g/mol
Exact Mass466.07
IUPAC Name1-[3,5-dichloro-4-[5-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-1-yl]phenyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(Cc2ccc(F)cc2F)CN1c1c(Cl)cc(N2C(=O)CCC2=O)cc1Cl
InChIInChI=1S/C22H18Cl2F2N2O3/c23-16-9-15(28-20(30)5-6-21(28)31)10-17(24)22(16)27-11-12(1-4-19(27)29)7-13-2-3-14(25)8-18(13)26/h2-3,8-10,12H,1,4-7,11H2
InChIKeyVWHASPFDKUTXRG-UHFFFAOYSA-N
XLogP4.91
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.30
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dichloro-4-[5-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-1-yl]phenyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[3,5-dichloro-4-[5-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-1-yl]phenyl]pyrrolidine-2,5-dione (CID 10127790) is 1-[3,5-dichloro-4-[5-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-1-yl]phenyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[3,5-dichloro-4-[5-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-1-yl]phenyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[3,5-dichloro-4-[5-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-1-yl]phenyl]pyrrolidine-2,5-dione is O=C1CCC(Cc2ccc(F)cc2F)CN1c1c(Cl)cc(N2C(=O)CCC2=O)cc1Cl.
What is the InChIKey of 1-[3,5-dichloro-4-[5-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-1-yl]phenyl]pyrrolidine-2,5-dione?
The InChIKey is VWHASPFDKUTXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2F2N2O3/c23-16-9-15(28-20(30)5-6-21(28)31)10-17(24)22(16)27-11-12(1-4-19(27)29)7-13-2-3-14(25)8-18(13)26/h2-3,8-10,12H,1,4-7,11H2.
What are the key properties of 1-[3,5-dichloro-4-[5-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-1-yl]phenyl]pyrrolidine-2,5-dione?
1-[3,5-dichloro-4-[5-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-1-yl]phenyl]pyrrolidine-2,5-dione has a molecular weight of 467.30 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dichloro-4-[5-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-1-yl]phenyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 10127790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).