5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide

C20H15Cl4F3N2O2 — CID 162614076

About 5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide

5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 162614076) has the molecular formula C20H15Cl4F3N2O2 and a molecular weight of 514.16 g/mol. Its IUPAC name is 5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

• Compound Name: 5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide
• PubChem CID: 162614076
• Molecular Formula: C20H15Cl4F3N2O2
• Molecular Weight: 514.16 g/mol
• Exact Mass: 511.98
• IUPAC Name: 5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide
• SMILES: Cc1ccc(NC(=O)C2C(c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)cc1C(=O)NCC(F)(F)F
• InChI: InChI=1S/C20H15Cl4F3N2O2/c1-9-2-3-13(7-14(9)17(30)28-8-19(25,26)27)29-18(31)16-15(20(16,23)24)10-4-11(21)6-12(22)5-10/h2-7,15-16H,8H2,1H3,(H,28,30)(H,29,31)
• InChIKey: NLBJCZPHDRIRSL-UHFFFAOYSA-N
• XLogP: 6.12
• TPSA: 58.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	514.16
LogP ≤ 5	6.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide?

The IUPAC name of 5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide (CID 162614076) is 5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide.

What is the SMILES notation for 5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide?

The canonical SMILES for 5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide is Cc1ccc(NC(=O)C2C(c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)cc1C(=O)NCC(F)(F)F.

What is the InChIKey of 5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide?

The InChIKey is NLBJCZPHDRIRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl4F3N2O2/c1-9-2-3-13(7-14(9)17(30)28-8-19(25,26)27)29-18(31)16-15(20(16,23)24)10-4-11(21)6-12(22)5-10/h2-7,15-16H,8H2,1H3,(H,28,30)(H,29,31).

What are the key properties of 5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide?

5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 514.16 g/mol, XLogP of 6.12, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 162614076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).