N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-methyl-2-[2-(trifluoromethyl)-4-pyridinyl]propanamide

C22H20Cl2F3N3O3 — CID 176846881

IUPACN-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-methyl-2-[2-(trifluoromethyl)-4-pyridinyl]propanamide
SMILESCC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1ccnc(C(F)(F)F)c1
InChIInChI=1S/C22H20Cl2F3N3O3/c1-21(2,12-5-6-28-16(9-12)22(25,26)27)20(33)29-10-11-7-14(23)18(15(24)8-11)13-3-4-17(31)30-19(13)32/h5-9,13H,3-4,10H2,1-2H3,(H,29,33)(H,30,31,32)
InChIKeyOWCOIVSJXIBWHH-UHFFFAOYSA-N
MW502.32 g/mol
LogP4.52
Rot. Bonds5

About N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-methyl-2-[2-(trifluoromethyl)-4-pyridinyl]propanamide

N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-methyl-2-[2-(trifluoromethyl)-4-pyridinyl]propanamide (PubChem CID 176846881) has the molecular formula C22H20Cl2F3N3O3 and a molecular weight of 502.32 g/mol. Its IUPAC name is N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-methyl-2-[2-(trifluoromethyl)-4-pyridinyl]propanamide.

Molecular Properties

Compound NameN-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-methyl-2-[2-(trifluoromethyl)-4-pyridinyl]propanamide
PubChem CID176846881
Molecular FormulaC22H20Cl2F3N3O3
Molecular Weight502.32 g/mol
Exact Mass501.08
IUPAC NameN-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-methyl-2-[2-(trifluoromethyl)-4-pyridinyl]propanamide
SMILESCC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1ccnc(C(F)(F)F)c1
InChIInChI=1S/C22H20Cl2F3N3O3/c1-21(2,12-5-6-28-16(9-12)22(25,26)27)20(33)29-10-11-7-14(23)18(15(24)8-11)13-3-4-17(31)30-19(13)32/h5-9,13H,3-4,10H2,1-2H3,(H,29,33)(H,30,31,32)
InChIKeyOWCOIVSJXIBWHH-UHFFFAOYSA-N
XLogP4.52
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.32
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-methyl-2-[2-(trifluoromethyl)-4-pyridinyl]propanamide?
The IUPAC name of N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-methyl-2-[2-(trifluoromethyl)-4-pyridinyl]propanamide (CID 176846881) is N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-methyl-2-[2-(trifluoromethyl)-4-pyridinyl]propanamide.
What is the SMILES notation for N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-methyl-2-[2-(trifluoromethyl)-4-pyridinyl]propanamide?
The canonical SMILES for N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-methyl-2-[2-(trifluoromethyl)-4-pyridinyl]propanamide is CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1ccnc(C(F)(F)F)c1.
What is the InChIKey of N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-methyl-2-[2-(trifluoromethyl)-4-pyridinyl]propanamide?
The InChIKey is OWCOIVSJXIBWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2F3N3O3/c1-21(2,12-5-6-28-16(9-12)22(25,26)27)20(33)29-10-11-7-14(23)18(15(24)8-11)13-3-4-17(31)30-19(13)32/h5-9,13H,3-4,10H2,1-2H3,(H,29,33)(H,30,31,32).
What are the key properties of N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-methyl-2-[2-(trifluoromethyl)-4-pyridinyl]propanamide?
N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-methyl-2-[2-(trifluoromethyl)-4-pyridinyl]propanamide has a molecular weight of 502.32 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 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-methyl-2-[2-(trifluoromethyl)-4-pyridinyl]propanamide is sourced from PubChem (CID 176846881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).