N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[cyclopropyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]amino]acetamide

C21H22ClF3N2O2 — CID 47030294

About N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[cyclopropyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]amino]acetamide

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[cyclopropyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]amino]acetamide (PubChem CID 47030294) has the molecular formula C21H22ClF3N2O2 and a molecular weight of 426.87 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[cyclopropyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]amino]acetamide.

Molecular Properties

• Compound Name: N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[cyclopropyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]amino]acetamide
• PubChem CID: 47030294
• Molecular Formula: C21H22ClF3N2O2
• Molecular Weight: 426.87 g/mol
• Exact Mass: 426.13
• IUPAC Name: N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[cyclopropyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]amino]acetamide
• SMILES: CC1CC1c1ccc(CN(CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C2CC2)o1
• InChI: InChI=1S/C21H22ClF3N2O2/c1-12-8-16(12)19-7-5-15(29-19)10-27(14-3-4-14)11-20(28)26-18-6-2-13(22)9-17(18)21(23,24)25/h2,5-7,9,12,14,16H,3-4,8,10-11H2,1H3,(H,26,28)
• InChIKey: DVONWJGJLIGIAR-UHFFFAOYSA-N
• XLogP: 5.68
• TPSA: 45.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	426.87
LogP ≤ 5	5.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[cyclopropyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]amino]acetamide?

The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[cyclopropyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]amino]acetamide (CID 47030294) is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[cyclopropyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]amino]acetamide.

What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[cyclopropyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]amino]acetamide?

The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[cyclopropyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]amino]acetamide is CC1CC1c1ccc(CN(CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C2CC2)o1.

What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[cyclopropyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]amino]acetamide?

The InChIKey is DVONWJGJLIGIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClF3N2O2/c1-12-8-16(12)19-7-5-15(29-19)10-27(14-3-4-14)11-20(28)26-18-6-2-13(22)9-17(18)21(23,24)25/h2,5-7,9,12,14,16H,3-4,8,10-11H2,1H3,(H,26,28).

What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[cyclopropyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]amino]acetamide?

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[cyclopropyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]amino]acetamide has a molecular weight of 426.87 g/mol, XLogP of 5.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[cyclopropyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]amino]acetamide is sourced from PubChem (CID 47030294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).