N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-[5-(difluoromethoxy)pyrazin-2-yl]-2-methylpropanamide

C21H20Cl2F2N4O4 — CID 176846874

IUPACN-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-[5-(difluoromethoxy)pyrazin-2-yl]-2-methylpropanamide
SMILESCC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1cnc(OC(F)F)cn1
InChIInChI=1S/C21H20Cl2F2N4O4/c1-21(2,14-8-27-16(9-26-14)33-20(24)25)19(32)28-7-10-5-12(22)17(13(23)6-10)11-3-4-15(30)29-18(11)31/h5-6,8-9,11,20H,3-4,7H2,1-2H3,(H,28,32)(H,29,30,31)
InChIKeyLLZXADXOKPOHET-UHFFFAOYSA-N
MW501.32 g/mol
LogP3.50
Rot. Bonds7

About N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-[5-(difluoromethoxy)pyrazin-2-yl]-2-methylpropanamide

N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-[5-(difluoromethoxy)pyrazin-2-yl]-2-methylpropanamide (PubChem CID 176846874) has the molecular formula C21H20Cl2F2N4O4 and a molecular weight of 501.32 g/mol. Its IUPAC name is N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-[5-(difluoromethoxy)pyrazin-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-[5-(difluoromethoxy)pyrazin-2-yl]-2-methylpropanamide
PubChem CID176846874
Molecular FormulaC21H20Cl2F2N4O4
Molecular Weight501.32 g/mol
Exact Mass500.08
IUPAC NameN-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-[5-(difluoromethoxy)pyrazin-2-yl]-2-methylpropanamide
SMILESCC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1cnc(OC(F)F)cn1
InChIInChI=1S/C21H20Cl2F2N4O4/c1-21(2,14-8-27-16(9-26-14)33-20(24)25)19(32)28-7-10-5-12(22)17(13(23)6-10)11-3-4-15(30)29-18(11)31/h5-6,8-9,11,20H,3-4,7H2,1-2H3,(H,28,32)(H,29,30,31)
InChIKeyLLZXADXOKPOHET-UHFFFAOYSA-N
XLogP3.50
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.32
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-[5-(difluoromethyl)pyrazin-2-yl]-2-methylpropanamide
CID 176157318
N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-[5-(difluoromethyl)-2-pyridinyl]-2-methylpropanamide
CID 176157545
N-[[3-chloro-4-(2,6-dioxopiperidin-3-yl)-5-fluorophenyl]methyl]-2-(5-ethoxypyrazin-2-yl)-2-methylpropanamide
CID 176846748
N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-[5-(2,2-difluoroethyl)pyrazin-2-yl]-2-methylpropanamide
CID 176846760
N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-methyl-2-[5-(trifluoromethoxy)pyrazin-2-yl]propanamide
CID 176846761
N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-[5-(1,1-difluoroethyl)pyrazin-2-yl]-2-methylpropanamide
CID 176846764
N-[[3-chloro-4-(2,6-dioxopiperidin-3-yl)-5-fluorophenyl]methyl]-2-methyl-2-[5-(trifluoromethoxy)pyrazin-2-yl]propanamide
CID 176846778
N-[[3-chloro-4-(2,6-dioxopiperidin-3-yl)-5-fluorophenyl]methyl]-2-(5-methoxypyrazin-2-yl)-2-methylpropanamide
CID 176846807
N-[[3-chloro-4-(2,6-dioxopiperidin-3-yl)-5-fluorophenyl]methyl]-2-[5-(1,1-difluoroethyl)pyrazin-2-yl]-2-methylpropanamide
CID 176846812
N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-(4-fluoro-2-pyridinyl)-2-methylpropanamide
CID 176846817
N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-methyl-2-[2-(trifluoromethyl)-4-pyridinyl]propanamide
CID 176846881
N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-(5-fluoro-2-pyridinyl)-2-methylpropanamide
CID 176846916

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-[5-(difluoromethoxy)pyrazin-2-yl]-2-methylpropanamide?
The IUPAC name of N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-[5-(difluoromethoxy)pyrazin-2-yl]-2-methylpropanamide (CID 176846874) is N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-[5-(difluoromethoxy)pyrazin-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-[5-(difluoromethoxy)pyrazin-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-[5-(difluoromethoxy)pyrazin-2-yl]-2-methylpropanamide is CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1cnc(OC(F)F)cn1.
What is the InChIKey of N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-[5-(difluoromethoxy)pyrazin-2-yl]-2-methylpropanamide?
The InChIKey is LLZXADXOKPOHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2F2N4O4/c1-21(2,14-8-27-16(9-26-14)33-20(24)25)19(32)28-7-10-5-12(22)17(13(23)6-10)11-3-4-15(30)29-18(11)31/h5-6,8-9,11,20H,3-4,7H2,1-2H3,(H,28,32)(H,29,30,31).
What are the key properties of N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-[5-(difluoromethoxy)pyrazin-2-yl]-2-methylpropanamide?
N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-[5-(difluoromethoxy)pyrazin-2-yl]-2-methylpropanamide has a molecular weight of 501.32 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-[5-(difluoromethoxy)pyrazin-2-yl]-2-methylpropanamide is sourced from PubChem (CID 176846874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).