2-(2-fluorophenoxy)-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide

C15H12FN5O2 — CID 110720240

IUPAC2-(2-fluorophenoxy)-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide
SMILESO=C(COc1ccccc1F)Nc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C15H12FN5O2/c16-12-3-1-2-4-13(12)23-9-14(22)17-11-7-5-10(6-8-11)15-18-20-21-19-15/h1-8H,9H2,(H,17,22)(H,18,19,20,21)
InChIKeyHGXYKWXLCHIABA-UHFFFAOYSA-N
MW313.29 g/mol
LogP2.02
Rot. Bonds5

About 2-(2-fluorophenoxy)-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide

2-(2-fluorophenoxy)-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide (PubChem CID 110720240) has the molecular formula C15H12FN5O2 and a molecular weight of 313.29 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide
PubChem CID110720240
Molecular FormulaC15H12FN5O2
Molecular Weight313.29 g/mol
Exact Mass313.10
IUPAC Name2-(2-fluorophenoxy)-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide
SMILESO=C(COc1ccccc1F)Nc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C15H12FN5O2/c16-12-3-1-2-4-13(12)23-9-14(22)17-11-7-5-10(6-8-11)15-18-20-21-19-15/h1-8H,9H2,(H,17,22)(H,18,19,20,21)
InChIKeyHGXYKWXLCHIABA-UHFFFAOYSA-N
XLogP2.02
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.29
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide (CID 110720240) is 2-(2-fluorophenoxy)-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide is O=C(COc1ccccc1F)Nc1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of 2-(2-fluorophenoxy)-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide?
The InChIKey is HGXYKWXLCHIABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN5O2/c16-12-3-1-2-4-13(12)23-9-14(22)17-11-7-5-10(6-8-11)15-18-20-21-19-15/h1-8H,9H2,(H,17,22)(H,18,19,20,21).
What are the key properties of 2-(2-fluorophenoxy)-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide?
2-(2-fluorophenoxy)-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide has a molecular weight of 313.29 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide is sourced from PubChem (CID 110720240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).