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

C22H22Cl2F2N2O3 — CID 10288669

IUPACN-[3,5-dichloro-4-[5-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-1-yl]phenyl]-4-hydroxybutanamide
SMILESO=C(CCCO)Nc1cc(Cl)c(N2CC(Cc3ccc(F)cc3F)CCC2=O)c(Cl)c1
InChIInChI=1S/C22H22Cl2F2N2O3/c23-17-10-16(27-20(30)2-1-7-29)11-18(24)22(17)28-12-13(3-6-21(28)31)8-14-4-5-15(25)9-19(14)26/h4-5,9-11,13,29H,1-3,6-8,12H2,(H,27,30)
InChIKeyQURTYOWGZIHCCG-UHFFFAOYSA-N
MW471.33 g/mol
LogP4.97
Rot. Bonds7

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

N-[3,5-dichloro-4-[5-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-1-yl]phenyl]-4-hydroxybutanamide (PubChem CID 10288669) has the molecular formula C22H22Cl2F2N2O3 and a molecular weight of 471.33 g/mol. Its IUPAC name is N-[3,5-dichloro-4-[5-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-1-yl]phenyl]-4-hydroxybutanamide.

Molecular Properties

Compound NameN-[3,5-dichloro-4-[5-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-1-yl]phenyl]-4-hydroxybutanamide
PubChem CID10288669
Molecular FormulaC22H22Cl2F2N2O3
Molecular Weight471.33 g/mol
Exact Mass470.10
IUPAC NameN-[3,5-dichloro-4-[5-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-1-yl]phenyl]-4-hydroxybutanamide
SMILESO=C(CCCO)Nc1cc(Cl)c(N2CC(Cc3ccc(F)cc3F)CCC2=O)c(Cl)c1
InChIInChI=1S/C22H22Cl2F2N2O3/c23-17-10-16(27-20(30)2-1-7-29)11-18(24)22(17)28-12-13(3-6-21(28)31)8-14-4-5-15(25)9-19(14)26/h4-5,9-11,13,29H,1-3,6-8,12H2,(H,27,30)
InChIKeyQURTYOWGZIHCCG-UHFFFAOYSA-N
XLogP4.97
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.33
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3,5-dichloro-4-[5-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-1-yl]phenyl]-4-hydroxybutanamide?
The IUPAC name of N-[3,5-dichloro-4-[5-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-1-yl]phenyl]-4-hydroxybutanamide (CID 10288669) is N-[3,5-dichloro-4-[5-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-1-yl]phenyl]-4-hydroxybutanamide.
What is the SMILES notation for N-[3,5-dichloro-4-[5-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-1-yl]phenyl]-4-hydroxybutanamide?
The canonical SMILES for N-[3,5-dichloro-4-[5-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-1-yl]phenyl]-4-hydroxybutanamide is O=C(CCCO)Nc1cc(Cl)c(N2CC(Cc3ccc(F)cc3F)CCC2=O)c(Cl)c1.
What is the InChIKey of N-[3,5-dichloro-4-[5-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-1-yl]phenyl]-4-hydroxybutanamide?
The InChIKey is QURTYOWGZIHCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl2F2N2O3/c23-17-10-16(27-20(30)2-1-7-29)11-18(24)22(17)28-12-13(3-6-21(28)31)8-14-4-5-15(25)9-19(14)26/h4-5,9-11,13,29H,1-3,6-8,12H2,(H,27,30).
What are the key properties of N-[3,5-dichloro-4-[5-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-1-yl]phenyl]-4-hydroxybutanamide?
N-[3,5-dichloro-4-[5-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-1-yl]phenyl]-4-hydroxybutanamide has a molecular weight of 471.33 g/mol, XLogP of 4.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-dichloro-4-[5-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-1-yl]phenyl]-4-hydroxybutanamide is sourced from PubChem (CID 10288669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).