N-cyclopropyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide

C21H19F3N4O2 — CID 55594692

About N-cyclopropyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide

N-cyclopropyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide (PubChem CID 55594692) has the molecular formula C21H19F3N4O2 and a molecular weight of 416.40 g/mol. Its IUPAC name is N-cyclopropyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide.

Molecular Properties

• Compound Name: N-cyclopropyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
• PubChem CID: 55594692
• Molecular Formula: C21H19F3N4O2
• Molecular Weight: 416.40 g/mol
• Exact Mass: 416.15
• IUPAC Name: N-cyclopropyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
• SMILES: CC(c1cccc(C(F)(F)F)c1)N(C(=O)Cn1nnc2ccccc2c1=O)C1CC1
• InChI: InChI=1S/C21H19F3N4O2/c1-13(14-5-4-6-15(11-14)21(22,23)24)28(16-9-10-16)19(29)12-27-20(30)17-7-2-3-8-18(17)25-26-27/h2-8,11,13,16H,9-10,12H2,1H3
• InChIKey: IUBNCVUXSSGXPG-UHFFFAOYSA-N
• XLogP: 3.56
• TPSA: 68.09 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.40
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide?

The IUPAC name of N-cyclopropyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide (CID 55594692) is N-cyclopropyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide.

What is the SMILES notation for N-cyclopropyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide?

The canonical SMILES for N-cyclopropyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide is CC(c1cccc(C(F)(F)F)c1)N(C(=O)Cn1nnc2ccccc2c1=O)C1CC1.

What is the InChIKey of N-cyclopropyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide?

The InChIKey is IUBNCVUXSSGXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N4O2/c1-13(14-5-4-6-15(11-14)21(22,23)24)28(16-9-10-16)19(29)12-27-20(30)17-7-2-3-8-18(17)25-26-27/h2-8,11,13,16H,9-10,12H2,1H3.

What are the key properties of N-cyclopropyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide?

N-cyclopropyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide has a molecular weight of 416.40 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide is sourced from PubChem (CID 55594692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).