N-(3-fluorophenyl)-2-(6-nitroindazol-1-yl)acetamide

C15H11FN4O3 — CID 18151466

IUPACN-(3-fluorophenyl)-2-(6-nitroindazol-1-yl)acetamide
SMILESO=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1cccc(F)c1
InChIInChI=1S/C15H11FN4O3/c16-11-2-1-3-12(6-11)18-15(21)9-19-14-7-13(20(22)23)5-4-10(14)8-17-19/h1-8H,9H2,(H,18,21)
InChIKeyMPUGALZKKVKILV-UHFFFAOYSA-N
MW314.28 g/mol
LogP2.72
Rot. Bonds4

About N-(3-fluorophenyl)-2-(6-nitroindazol-1-yl)acetamide

N-(3-fluorophenyl)-2-(6-nitroindazol-1-yl)acetamide (PubChem CID 18151466) has the molecular formula C15H11FN4O3 and a molecular weight of 314.28 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-(6-nitroindazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-(6-nitroindazol-1-yl)acetamide
PubChem CID18151466
Molecular FormulaC15H11FN4O3
Molecular Weight314.28 g/mol
Exact Mass314.08
IUPAC NameN-(3-fluorophenyl)-2-(6-nitroindazol-1-yl)acetamide
SMILESO=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1cccc(F)c1
InChIInChI=1S/C15H11FN4O3/c16-11-2-1-3-12(6-11)18-15(21)9-19-14-7-13(20(22)23)5-4-10(14)8-17-19/h1-8H,9H2,(H,18,21)
InChIKeyMPUGALZKKVKILV-UHFFFAOYSA-N
XLogP2.72
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.28
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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 N-(3-fluorophenyl)-2-(6-nitroindazol-1-yl)acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-(6-nitroindazol-1-yl)acetamide (CID 18151466) is N-(3-fluorophenyl)-2-(6-nitroindazol-1-yl)acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-(6-nitroindazol-1-yl)acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-(6-nitroindazol-1-yl)acetamide is O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-2-(6-nitroindazol-1-yl)acetamide?
The InChIKey is MPUGALZKKVKILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN4O3/c16-11-2-1-3-12(6-11)18-15(21)9-19-14-7-13(20(22)23)5-4-10(14)8-17-19/h1-8H,9H2,(H,18,21).
What are the key properties of N-(3-fluorophenyl)-2-(6-nitroindazol-1-yl)acetamide?
N-(3-fluorophenyl)-2-(6-nitroindazol-1-yl)acetamide has a molecular weight of 314.28 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-(6-nitroindazol-1-yl)acetamide is sourced from PubChem (CID 18151466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).