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

C20H19ClF2N2O2 — CID 23022193

IUPACN-[4-chloro-3-[5-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Cl)c(N2CC(Cc3ccc(F)cc3F)CCC2=O)c1
InChIInChI=1S/C20H19ClF2N2O2/c1-12(26)24-16-5-6-17(21)19(10-16)25-11-13(2-7-20(25)27)8-14-3-4-15(22)9-18(14)23/h3-6,9-10,13H,2,7-8,11H2,1H3,(H,24,26)
InChIKeyHVXANXUZUJDHEQ-UHFFFAOYSA-N
MW392.83 g/mol
LogP4.56
Rot. Bonds4

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

N-[4-chloro-3-[5-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-1-yl]phenyl]acetamide (PubChem CID 23022193) has the molecular formula C20H19ClF2N2O2 and a molecular weight of 392.83 g/mol. Its IUPAC name is N-[4-chloro-3-[5-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-1-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-chloro-3-[5-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-1-yl]phenyl]acetamide
PubChem CID23022193
Molecular FormulaC20H19ClF2N2O2
Molecular Weight392.83 g/mol
Exact Mass392.11
IUPAC NameN-[4-chloro-3-[5-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Cl)c(N2CC(Cc3ccc(F)cc3F)CCC2=O)c1
InChIInChI=1S/C20H19ClF2N2O2/c1-12(26)24-16-5-6-17(21)19(10-16)25-11-13(2-7-20(25)27)8-14-3-4-15(22)9-18(14)23/h3-6,9-10,13H,2,7-8,11H2,1H3,(H,24,26)
InChIKeyHVXANXUZUJDHEQ-UHFFFAOYSA-N
XLogP4.56
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.83
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[5-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-1-yl]phenyl]acetamide?
The IUPAC name of N-[4-chloro-3-[5-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-1-yl]phenyl]acetamide (CID 23022193) is N-[4-chloro-3-[5-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-1-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-chloro-3-[5-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-1-yl]phenyl]acetamide?
The canonical SMILES for N-[4-chloro-3-[5-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-1-yl]phenyl]acetamide is CC(=O)Nc1ccc(Cl)c(N2CC(Cc3ccc(F)cc3F)CCC2=O)c1.
What is the InChIKey of N-[4-chloro-3-[5-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-1-yl]phenyl]acetamide?
The InChIKey is HVXANXUZUJDHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClF2N2O2/c1-12(26)24-16-5-6-17(21)19(10-16)25-11-13(2-7-20(25)27)8-14-3-4-15(22)9-18(14)23/h3-6,9-10,13H,2,7-8,11H2,1H3,(H,24,26).
What are the key properties of N-[4-chloro-3-[5-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-1-yl]phenyl]acetamide?
N-[4-chloro-3-[5-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-1-yl]phenyl]acetamide has a molecular weight of 392.83 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-[5-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-1-yl]phenyl]acetamide is sourced from PubChem (CID 23022193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).