1-[(R)-(3-chloro-2,4-difluorophenyl)-[(2R,4R)-1-methyl-2-(trifluoromethyl)piperidin-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide

C18H20ClF5N4O2 — CID 162509795

About 1-[(R)-(3-chloro-2,4-difluorophenyl)-[(2R,4R)-1-methyl-2-(trifluoromethyl)piperidin-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide

1-[(R)-(3-chloro-2,4-difluorophenyl)-[(2R,4R)-1-methyl-2-(trifluoromethyl)piperidin-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide (PubChem CID 162509795) has the molecular formula C18H20ClF5N4O2 and a molecular weight of 454.83 g/mol. Its IUPAC name is 1-[(R)-(3-chloro-2,4-difluorophenyl)-[(2R,4R)-1-methyl-2-(trifluoromethyl)piperidin-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[(R)-(3-chloro-2,4-difluorophenyl)-[(2R,4R)-1-methyl-2-(trifluoromethyl)piperidin-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide
• PubChem CID: 162509795
• Molecular Formula: C18H20ClF5N4O2
• Molecular Weight: 454.83 g/mol
• Exact Mass: 454.12
• IUPAC Name: 1-[(R)-(3-chloro-2,4-difluorophenyl)-[(2R,4R)-1-methyl-2-(trifluoromethyl)piperidin-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide
• SMILES: CN1CC[C@@H]([C@H](c2ccc(F)c(Cl)c2F)N2CC(C(N)=O)NC2=O)C[C@@H]1C(F)(F)F
• InChI: InChI=1S/C18H20ClF5N4O2/c1-27-5-4-8(6-12(27)18(22,23)24)15(9-2-3-10(20)13(19)14(9)21)28-7-11(16(25)29)26-17(28)30/h2-3,8,11-12,15H,4-7H2,1H3,(H2,25,29)(H,26,30)/t8-,11?,12-,15-/m1/s1
• InChIKey: PVGYTUAICSJSLY-MYWUFWHVSA-N
• XLogP: 2.81
• TPSA: 78.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.83
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(3-chloro-2,4-difluorophenyl)-[(2R,4R)-1-methyl-2-(trifluoromethyl)piperidin-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide?

The IUPAC name of 1-[(R)-(3-chloro-2,4-difluorophenyl)-[(2R,4R)-1-methyl-2-(trifluoromethyl)piperidin-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide (CID 162509795) is 1-[(R)-(3-chloro-2,4-difluorophenyl)-[(2R,4R)-1-methyl-2-(trifluoromethyl)piperidin-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide.

What is the SMILES notation for 1-[(R)-(3-chloro-2,4-difluorophenyl)-[(2R,4R)-1-methyl-2-(trifluoromethyl)piperidin-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide?

The canonical SMILES for 1-[(R)-(3-chloro-2,4-difluorophenyl)-[(2R,4R)-1-methyl-2-(trifluoromethyl)piperidin-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide is CN1CC[C@@H]([C@H](c2ccc(F)c(Cl)c2F)N2CC(C(N)=O)NC2=O)C[C@@H]1C(F)(F)F.

What is the InChIKey of 1-[(R)-(3-chloro-2,4-difluorophenyl)-[(2R,4R)-1-methyl-2-(trifluoromethyl)piperidin-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide?

The InChIKey is PVGYTUAICSJSLY-MYWUFWHVSA-N. The full InChI is InChI=1S/C18H20ClF5N4O2/c1-27-5-4-8(6-12(27)18(22,23)24)15(9-2-3-10(20)13(19)14(9)21)28-7-11(16(25)29)26-17(28)30/h2-3,8,11-12,15H,4-7H2,1H3,(H2,25,29)(H,26,30)/t8-,11?,12-,15-/m1/s1.

What are the key properties of 1-[(R)-(3-chloro-2,4-difluorophenyl)-[(2R,4R)-1-methyl-2-(trifluoromethyl)piperidin-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide?

1-[(R)-(3-chloro-2,4-difluorophenyl)-[(2R,4R)-1-methyl-2-(trifluoromethyl)piperidin-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide has a molecular weight of 454.83 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(R)-(3-chloro-2,4-difluorophenyl)-[(2R,4R)-1-methyl-2-(trifluoromethyl)piperidin-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 162509795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).