2-(4-ethoxyanilino)-6-fluorobenzonitrile

C15H13FN2O — CID 8006849

IUPAC2-(4-ethoxyanilino)-6-fluorobenzonitrile
SMILESCCOc1ccc(Nc2cccc(F)c2C#N)cc1
InChIInChI=1S/C15H13FN2O/c1-2-19-12-8-6-11(7-9-12)18-15-5-3-4-14(16)13(15)10-17/h3-9,18H,2H2,1H3
InChIKeyIPDCJCLPDQOFAC-UHFFFAOYSA-N
MW256.28 g/mol
LogP3.84
Rot. Bonds4

About 2-(4-ethoxyanilino)-6-fluorobenzonitrile

2-(4-ethoxyanilino)-6-fluorobenzonitrile (PubChem CID 8006849) has the molecular formula C15H13FN2O and a molecular weight of 256.28 g/mol. Its IUPAC name is 2-(4-ethoxyanilino)-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-(4-ethoxyanilino)-6-fluorobenzonitrile
PubChem CID8006849
Molecular FormulaC15H13FN2O
Molecular Weight256.28 g/mol
Exact Mass256.10
IUPAC Name2-(4-ethoxyanilino)-6-fluorobenzonitrile
SMILESCCOc1ccc(Nc2cccc(F)c2C#N)cc1
InChIInChI=1S/C15H13FN2O/c1-2-19-12-8-6-11(7-9-12)18-15-5-3-4-14(16)13(15)10-17/h3-9,18H,2H2,1H3
InChIKeyIPDCJCLPDQOFAC-UHFFFAOYSA-N
XLogP3.84
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyanilino)-6-fluorobenzonitrile?
The IUPAC name of 2-(4-ethoxyanilino)-6-fluorobenzonitrile (CID 8006849) is 2-(4-ethoxyanilino)-6-fluorobenzonitrile.
What is the SMILES notation for 2-(4-ethoxyanilino)-6-fluorobenzonitrile?
The canonical SMILES for 2-(4-ethoxyanilino)-6-fluorobenzonitrile is CCOc1ccc(Nc2cccc(F)c2C#N)cc1.
What is the InChIKey of 2-(4-ethoxyanilino)-6-fluorobenzonitrile?
The InChIKey is IPDCJCLPDQOFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O/c1-2-19-12-8-6-11(7-9-12)18-15-5-3-4-14(16)13(15)10-17/h3-9,18H,2H2,1H3.
What are the key properties of 2-(4-ethoxyanilino)-6-fluorobenzonitrile?
2-(4-ethoxyanilino)-6-fluorobenzonitrile has a molecular weight of 256.28 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyanilino)-6-fluorobenzonitrile is sourced from PubChem (CID 8006849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).