N-[(2R)-1-[4-[(3-chlorophenyl)methyl]-2-methyl-1,3-dioxo-2,8-diazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]-2-fluoro-5-(trifluoromethyl)benzamide

C29H30ClF4N3O4 — CID 164570264

About N-[(2R)-1-[4-[(3-chlorophenyl)methyl]-2-methyl-1,3-dioxo-2,8-diazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]-2-fluoro-5-(trifluoromethyl)benzamide

N-[(2R)-1-[4-[(3-chlorophenyl)methyl]-2-methyl-1,3-dioxo-2,8-diazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]-2-fluoro-5-(trifluoromethyl)benzamide (PubChem CID 164570264) has the molecular formula C29H30ClF4N3O4 and a molecular weight of 596.02 g/mol. Its IUPAC name is N-[(2R)-1-[4-[(3-chlorophenyl)methyl]-2-methyl-1,3-dioxo-2,8-diazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]-2-fluoro-5-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: N-[(2R)-1-[4-[(3-chlorophenyl)methyl]-2-methyl-1,3-dioxo-2,8-diazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]-2-fluoro-5-(trifluoromethyl)benzamide
• PubChem CID: 164570264
• Molecular Formula: C29H30ClF4N3O4
• Molecular Weight: 596.02 g/mol
• Exact Mass: 595.19
• IUPAC Name: N-[(2R)-1-[4-[(3-chlorophenyl)methyl]-2-methyl-1,3-dioxo-2,8-diazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]-2-fluoro-5-(trifluoromethyl)benzamide
• SMILES: CC(C)[C@@H](NC(=O)c1cc(C(F)(F)F)ccc1F)C(=O)N1CCC2(CC1)C(=O)N(C)C(=O)C2Cc1cccc(Cl)c1
• InChI: InChI=1S/C29H30ClF4N3O4/c1-16(2)23(35-24(38)20-15-18(29(32,33)34)7-8-22(20)31)26(40)37-11-9-28(10-12-37)21(25(39)36(3)27(28)41)14-17-5-4-6-19(30)13-17/h4-8,13,15-16,21,23H,9-12,14H2,1-3H3,(H,35,38)/t21?,23-/m1/s1
• InChIKey: UFQHUJRBGGPNBS-JFGZAKSSSA-N
• XLogP: 4.72
• TPSA: 86.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	596.02
LogP ≤ 5	4.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[4-[(3-chlorophenyl)methyl]-2-methyl-1,3-dioxo-2,8-diazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]-2-fluoro-5-(trifluoromethyl)benzamide?

The IUPAC name of N-[(2R)-1-[4-[(3-chlorophenyl)methyl]-2-methyl-1,3-dioxo-2,8-diazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]-2-fluoro-5-(trifluoromethyl)benzamide (CID 164570264) is N-[(2R)-1-[4-[(3-chlorophenyl)methyl]-2-methyl-1,3-dioxo-2,8-diazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]-2-fluoro-5-(trifluoromethyl)benzamide.

What is the SMILES notation for N-[(2R)-1-[4-[(3-chlorophenyl)methyl]-2-methyl-1,3-dioxo-2,8-diazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]-2-fluoro-5-(trifluoromethyl)benzamide?

The canonical SMILES for N-[(2R)-1-[4-[(3-chlorophenyl)methyl]-2-methyl-1,3-dioxo-2,8-diazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]-2-fluoro-5-(trifluoromethyl)benzamide is CC(C)[C@@H](NC(=O)c1cc(C(F)(F)F)ccc1F)C(=O)N1CCC2(CC1)C(=O)N(C)C(=O)C2Cc1cccc(Cl)c1.

What is the InChIKey of N-[(2R)-1-[4-[(3-chlorophenyl)methyl]-2-methyl-1,3-dioxo-2,8-diazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]-2-fluoro-5-(trifluoromethyl)benzamide?

The InChIKey is UFQHUJRBGGPNBS-JFGZAKSSSA-N. The full InChI is InChI=1S/C29H30ClF4N3O4/c1-16(2)23(35-24(38)20-15-18(29(32,33)34)7-8-22(20)31)26(40)37-11-9-28(10-12-37)21(25(39)36(3)27(28)41)14-17-5-4-6-19(30)13-17/h4-8,13,15-16,21,23H,9-12,14H2,1-3H3,(H,35,38)/t21?,23-/m1/s1.

What are the key properties of N-[(2R)-1-[4-[(3-chlorophenyl)methyl]-2-methyl-1,3-dioxo-2,8-diazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]-2-fluoro-5-(trifluoromethyl)benzamide?

N-[(2R)-1-[4-[(3-chlorophenyl)methyl]-2-methyl-1,3-dioxo-2,8-diazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]-2-fluoro-5-(trifluoromethyl)benzamide has a molecular weight of 596.02 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-1-[4-[(3-chlorophenyl)methyl]-2-methyl-1,3-dioxo-2,8-diazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]-2-fluoro-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 164570264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).