2-(6-nitroindazol-1-yl)-N-(2,3,4-trifluorophenyl)acetamide

C15H9F3N4O3 — CID 18151452

IUPAC2-(6-nitroindazol-1-yl)-N-(2,3,4-trifluorophenyl)acetamide
SMILESO=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C15H9F3N4O3/c16-10-3-4-11(15(18)14(10)17)20-13(23)7-21-12-5-9(22(24)25)2-1-8(12)6-19-21/h1-6H,7H2,(H,20,23)
InChIKeyGFOPDGUFHJALGM-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.00
Rot. Bonds4

About 2-(6-nitroindazol-1-yl)-N-(2,3,4-trifluorophenyl)acetamide

2-(6-nitroindazol-1-yl)-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 18151452) has the molecular formula C15H9F3N4O3 and a molecular weight of 350.26 g/mol. Its IUPAC name is 2-(6-nitroindazol-1-yl)-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-(6-nitroindazol-1-yl)-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID18151452
Molecular FormulaC15H9F3N4O3
Molecular Weight350.26 g/mol
Exact Mass350.06
IUPAC Name2-(6-nitroindazol-1-yl)-N-(2,3,4-trifluorophenyl)acetamide
SMILESO=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C15H9F3N4O3/c16-10-3-4-11(15(18)14(10)17)20-13(23)7-21-12-5-9(22(24)25)2-1-8(12)6-19-21/h1-6H,7H2,(H,20,23)
InChIKeyGFOPDGUFHJALGM-UHFFFAOYSA-N
XLogP3.00
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-nitroindazol-1-yl)-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-(6-nitroindazol-1-yl)-N-(2,3,4-trifluorophenyl)acetamide (CID 18151452) is 2-(6-nitroindazol-1-yl)-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-(6-nitroindazol-1-yl)-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-(6-nitroindazol-1-yl)-N-(2,3,4-trifluorophenyl)acetamide is O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 2-(6-nitroindazol-1-yl)-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is GFOPDGUFHJALGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N4O3/c16-10-3-4-11(15(18)14(10)17)20-13(23)7-21-12-5-9(22(24)25)2-1-8(12)6-19-21/h1-6H,7H2,(H,20,23).
What are the key properties of 2-(6-nitroindazol-1-yl)-N-(2,3,4-trifluorophenyl)acetamide?
2-(6-nitroindazol-1-yl)-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 350.26 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-nitroindazol-1-yl)-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 18151452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).