N-[[3-chloro-4-(2,6-dioxopiperidin-3-yl)-5-fluorophenyl]methyl]-2-[6-(difluoromethoxy)-3-pyridinyl]-2-methylpropanamide

C22H21ClF3N3O4 — CID 176846756

About N-[[3-chloro-4-(2,6-dioxopiperidin-3-yl)-5-fluorophenyl]methyl]-2-[6-(difluoromethoxy)-3-pyridinyl]-2-methylpropanamide

N-[[3-chloro-4-(2,6-dioxopiperidin-3-yl)-5-fluorophenyl]methyl]-2-[6-(difluoromethoxy)-3-pyridinyl]-2-methylpropanamide (PubChem CID 176846756) has the molecular formula C22H21ClF3N3O4 and a molecular weight of 483.87 g/mol. Its IUPAC name is N-[[3-chloro-4-(2,6-dioxopiperidin-3-yl)-5-fluorophenyl]methyl]-2-[6-(difluoromethoxy)-3-pyridinyl]-2-methylpropanamide.

Molecular Properties

• Compound Name: N-[[3-chloro-4-(2,6-dioxopiperidin-3-yl)-5-fluorophenyl]methyl]-2-[6-(difluoromethoxy)-3-pyridinyl]-2-methylpropanamide
• PubChem CID: 176846756
• Molecular Formula: C22H21ClF3N3O4
• Molecular Weight: 483.87 g/mol
• Exact Mass: 483.12
• IUPAC Name: N-[[3-chloro-4-(2,6-dioxopiperidin-3-yl)-5-fluorophenyl]methyl]-2-[6-(difluoromethoxy)-3-pyridinyl]-2-methylpropanamide
• SMILES: CC(C)(C(=O)NCc1cc(F)c(C2CCC(=O)NC2=O)c(Cl)c1)c1ccc(OC(F)F)nc1
• InChI: InChI=1S/C22H21ClF3N3O4/c1-22(2,12-3-6-17(27-10-12)33-21(25)26)20(32)28-9-11-7-14(23)18(15(24)8-11)13-4-5-16(30)29-19(13)31/h3,6-8,10,13,21H,4-5,9H2,1-2H3,(H,28,32)(H,29,30,31)
• InChIKey: OYWACFFEUOIJJS-UHFFFAOYSA-N
• XLogP: 3.59
• TPSA: 97.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.87
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-4-(2,6-dioxopiperidin-3-yl)-5-fluorophenyl]methyl]-2-[6-(difluoromethoxy)-3-pyridinyl]-2-methylpropanamide?

The IUPAC name of N-[[3-chloro-4-(2,6-dioxopiperidin-3-yl)-5-fluorophenyl]methyl]-2-[6-(difluoromethoxy)-3-pyridinyl]-2-methylpropanamide (CID 176846756) is N-[[3-chloro-4-(2,6-dioxopiperidin-3-yl)-5-fluorophenyl]methyl]-2-[6-(difluoromethoxy)-3-pyridinyl]-2-methylpropanamide.

What is the SMILES notation for N-[[3-chloro-4-(2,6-dioxopiperidin-3-yl)-5-fluorophenyl]methyl]-2-[6-(difluoromethoxy)-3-pyridinyl]-2-methylpropanamide?

The canonical SMILES for N-[[3-chloro-4-(2,6-dioxopiperidin-3-yl)-5-fluorophenyl]methyl]-2-[6-(difluoromethoxy)-3-pyridinyl]-2-methylpropanamide is CC(C)(C(=O)NCc1cc(F)c(C2CCC(=O)NC2=O)c(Cl)c1)c1ccc(OC(F)F)nc1.

What is the InChIKey of N-[[3-chloro-4-(2,6-dioxopiperidin-3-yl)-5-fluorophenyl]methyl]-2-[6-(difluoromethoxy)-3-pyridinyl]-2-methylpropanamide?

The InChIKey is OYWACFFEUOIJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClF3N3O4/c1-22(2,12-3-6-17(27-10-12)33-21(25)26)20(32)28-9-11-7-14(23)18(15(24)8-11)13-4-5-16(30)29-19(13)31/h3,6-8,10,13,21H,4-5,9H2,1-2H3,(H,28,32)(H,29,30,31).

What are the key properties of N-[[3-chloro-4-(2,6-dioxopiperidin-3-yl)-5-fluorophenyl]methyl]-2-[6-(difluoromethoxy)-3-pyridinyl]-2-methylpropanamide?

N-[[3-chloro-4-(2,6-dioxopiperidin-3-yl)-5-fluorophenyl]methyl]-2-[6-(difluoromethoxy)-3-pyridinyl]-2-methylpropanamide has a molecular weight of 483.87 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-chloro-4-(2,6-dioxopiperidin-3-yl)-5-fluorophenyl]methyl]-2-[6-(difluoromethoxy)-3-pyridinyl]-2-methylpropanamide is sourced from PubChem (CID 176846756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).