2-cinnolin-4-yloxy-N-(4-fluorophenyl)acetamide

C16H12FN3O2 — CID 20887715

IUPAC2-cinnolin-4-yloxy-N-(4-fluorophenyl)acetamide
SMILESO=C(COc1cnnc2ccccc12)Nc1ccc(F)cc1
InChIInChI=1S/C16H12FN3O2/c17-11-5-7-12(8-6-11)19-16(21)10-22-15-9-18-20-14-4-2-1-3-13(14)15/h1-9H,10H2,(H,19,21)
InChIKeySAYYUONEJOFXOX-UHFFFAOYSA-N
MW297.29 g/mol
LogP2.79
Rot. Bonds4

About 2-cinnolin-4-yloxy-N-(4-fluorophenyl)acetamide

2-cinnolin-4-yloxy-N-(4-fluorophenyl)acetamide (PubChem CID 20887715) has the molecular formula C16H12FN3O2 and a molecular weight of 297.29 g/mol. Its IUPAC name is 2-cinnolin-4-yloxy-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-cinnolin-4-yloxy-N-(4-fluorophenyl)acetamide
PubChem CID20887715
Molecular FormulaC16H12FN3O2
Molecular Weight297.29 g/mol
Exact Mass297.09
IUPAC Name2-cinnolin-4-yloxy-N-(4-fluorophenyl)acetamide
SMILESO=C(COc1cnnc2ccccc12)Nc1ccc(F)cc1
InChIInChI=1S/C16H12FN3O2/c17-11-5-7-12(8-6-11)19-16(21)10-22-15-9-18-20-14-4-2-1-3-13(14)15/h1-9H,10H2,(H,19,21)
InChIKeySAYYUONEJOFXOX-UHFFFAOYSA-N
XLogP2.79
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cinnolin-4-yloxy-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-cinnolin-4-yloxy-N-(4-fluorophenyl)acetamide (CID 20887715) is 2-cinnolin-4-yloxy-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-cinnolin-4-yloxy-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-cinnolin-4-yloxy-N-(4-fluorophenyl)acetamide is O=C(COc1cnnc2ccccc12)Nc1ccc(F)cc1.
What is the InChIKey of 2-cinnolin-4-yloxy-N-(4-fluorophenyl)acetamide?
The InChIKey is SAYYUONEJOFXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O2/c17-11-5-7-12(8-6-11)19-16(21)10-22-15-9-18-20-14-4-2-1-3-13(14)15/h1-9H,10H2,(H,19,21).
What are the key properties of 2-cinnolin-4-yloxy-N-(4-fluorophenyl)acetamide?
2-cinnolin-4-yloxy-N-(4-fluorophenyl)acetamide has a molecular weight of 297.29 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cinnolin-4-yloxy-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 20887715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).