2-(benzotriazol-1-yl)-N-[2-(2-fluorophenoxy)ethyl]acetamide

C16H15FN4O2 — CID 47007776

IUPAC2-(benzotriazol-1-yl)-N-[2-(2-fluorophenoxy)ethyl]acetamide
SMILESO=C(Cn1nnc2ccccc21)NCCOc1ccccc1F
InChIInChI=1S/C16H15FN4O2/c17-12-5-1-4-8-15(12)23-10-9-18-16(22)11-21-14-7-3-2-6-13(14)19-20-21/h1-8H,9-11H2,(H,18,22)
InChIKeyRZSSNMWNYQZIHZ-UHFFFAOYSA-N
MW314.32 g/mol
LogP1.77
Rot. Bonds6

About 2-(benzotriazol-1-yl)-N-[2-(2-fluorophenoxy)ethyl]acetamide

2-(benzotriazol-1-yl)-N-[2-(2-fluorophenoxy)ethyl]acetamide (PubChem CID 47007776) has the molecular formula C16H15FN4O2 and a molecular weight of 314.32 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-[2-(2-fluorophenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-[2-(2-fluorophenoxy)ethyl]acetamide
PubChem CID47007776
Molecular FormulaC16H15FN4O2
Molecular Weight314.32 g/mol
Exact Mass314.12
IUPAC Name2-(benzotriazol-1-yl)-N-[2-(2-fluorophenoxy)ethyl]acetamide
SMILESO=C(Cn1nnc2ccccc21)NCCOc1ccccc1F
InChIInChI=1S/C16H15FN4O2/c17-12-5-1-4-8-15(12)23-10-9-18-16(22)11-21-14-7-3-2-6-13(14)19-20-21/h1-8H,9-11H2,(H,18,22)
InChIKeyRZSSNMWNYQZIHZ-UHFFFAOYSA-N
XLogP1.77
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(benzotriazol-1-yl)-N-[2-(2-fluorophenoxy)ethyl]acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-[2-(2-fluorophenoxy)ethyl]acetamide (CID 47007776) is 2-(benzotriazol-1-yl)-N-[2-(2-fluorophenoxy)ethyl]acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-[2-(2-fluorophenoxy)ethyl]acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-[2-(2-fluorophenoxy)ethyl]acetamide is O=C(Cn1nnc2ccccc21)NCCOc1ccccc1F.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-[2-(2-fluorophenoxy)ethyl]acetamide?
The InChIKey is RZSSNMWNYQZIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O2/c17-12-5-1-4-8-15(12)23-10-9-18-16(22)11-21-14-7-3-2-6-13(14)19-20-21/h1-8H,9-11H2,(H,18,22).
What are the key properties of 2-(benzotriazol-1-yl)-N-[2-(2-fluorophenoxy)ethyl]acetamide?
2-(benzotriazol-1-yl)-N-[2-(2-fluorophenoxy)ethyl]acetamide has a molecular weight of 314.32 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-[2-(2-fluorophenoxy)ethyl]acetamide is sourced from PubChem (CID 47007776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).