2-(5-fluoro-2H-indazol-3-yl)-N-(3-phenylpropyl)acetamide

C18H18FN3O — CID 71801686

IUPAC2-(5-fluoro-2H-indazol-3-yl)-N-(3-phenylpropyl)acetamide
SMILESO=C(Cc1[nH]nc2ccc(F)cc12)NCCCc1ccccc1
InChIInChI=1S/C18H18FN3O/c19-14-8-9-16-15(11-14)17(22-21-16)12-18(23)20-10-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-9,11H,4,7,10,12H2,(H,20,23)(H,21,22)
InChIKeyIRUIIJUAGZYWSG-UHFFFAOYSA-N
MW311.36 g/mol
LogP2.99
Rot. Bonds6

About 2-(5-fluoro-2H-indazol-3-yl)-N-(3-phenylpropyl)acetamide

2-(5-fluoro-2H-indazol-3-yl)-N-(3-phenylpropyl)acetamide (PubChem CID 71801686) has the molecular formula C18H18FN3O and a molecular weight of 311.36 g/mol. Its IUPAC name is 2-(5-fluoro-2H-indazol-3-yl)-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-(5-fluoro-2H-indazol-3-yl)-N-(3-phenylpropyl)acetamide
PubChem CID71801686
Molecular FormulaC18H18FN3O
Molecular Weight311.36 g/mol
Exact Mass311.14
IUPAC Name2-(5-fluoro-2H-indazol-3-yl)-N-(3-phenylpropyl)acetamide
SMILESO=C(Cc1[nH]nc2ccc(F)cc12)NCCCc1ccccc1
InChIInChI=1S/C18H18FN3O/c19-14-8-9-16-15(11-14)17(22-21-16)12-18(23)20-10-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-9,11H,4,7,10,12H2,(H,20,23)(H,21,22)
InChIKeyIRUIIJUAGZYWSG-UHFFFAOYSA-N
XLogP2.99
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2H-indazol-3-yl)-N-(3-phenylpropyl)acetamide?
The IUPAC name of 2-(5-fluoro-2H-indazol-3-yl)-N-(3-phenylpropyl)acetamide (CID 71801686) is 2-(5-fluoro-2H-indazol-3-yl)-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for 2-(5-fluoro-2H-indazol-3-yl)-N-(3-phenylpropyl)acetamide?
The canonical SMILES for 2-(5-fluoro-2H-indazol-3-yl)-N-(3-phenylpropyl)acetamide is O=C(Cc1[nH]nc2ccc(F)cc12)NCCCc1ccccc1.
What is the InChIKey of 2-(5-fluoro-2H-indazol-3-yl)-N-(3-phenylpropyl)acetamide?
The InChIKey is IRUIIJUAGZYWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O/c19-14-8-9-16-15(11-14)17(22-21-16)12-18(23)20-10-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-9,11H,4,7,10,12H2,(H,20,23)(H,21,22).
What are the key properties of 2-(5-fluoro-2H-indazol-3-yl)-N-(3-phenylpropyl)acetamide?
2-(5-fluoro-2H-indazol-3-yl)-N-(3-phenylpropyl)acetamide has a molecular weight of 311.36 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2H-indazol-3-yl)-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 71801686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).