[2-[(4-fluorophenyl)methylamino]-2-oxo-1-pyridin-2-ylethyl] acetate

C16H15FN2O3 — CID 3230485

IUPAC[2-[(4-fluorophenyl)methylamino]-2-oxo-1-pyridin-2-ylethyl] acetate
SMILESCC(=O)OC(C(=O)NCc1ccc(F)cc1)c1ccccn1
InChIInChI=1S/C16H15FN2O3/c1-11(20)22-15(14-4-2-3-9-18-14)16(21)19-10-12-5-7-13(17)8-6-12/h2-9,15H,10H2,1H3,(H,19,21)
InChIKeyBCGFHTWFERBIND-UHFFFAOYSA-N
MW302.31 g/mol
LogP2.14
Rot. Bonds5

About [2-[(4-fluorophenyl)methylamino]-2-oxo-1-pyridin-2-ylethyl] acetate

[2-[(4-fluorophenyl)methylamino]-2-oxo-1-pyridin-2-ylethyl] acetate (PubChem CID 3230485) has the molecular formula C16H15FN2O3 and a molecular weight of 302.31 g/mol. Its IUPAC name is [2-[(4-fluorophenyl)methylamino]-2-oxo-1-pyridin-2-ylethyl] acetate.

Molecular Properties

Compound Name[2-[(4-fluorophenyl)methylamino]-2-oxo-1-pyridin-2-ylethyl] acetate
PubChem CID3230485
Molecular FormulaC16H15FN2O3
Molecular Weight302.31 g/mol
Exact Mass302.11
IUPAC Name[2-[(4-fluorophenyl)methylamino]-2-oxo-1-pyridin-2-ylethyl] acetate
SMILESCC(=O)OC(C(=O)NCc1ccc(F)cc1)c1ccccn1
InChIInChI=1S/C16H15FN2O3/c1-11(20)22-15(14-4-2-3-9-18-14)16(21)19-10-12-5-7-13(17)8-6-12/h2-9,15H,10H2,1H3,(H,19,21)
InChIKeyBCGFHTWFERBIND-UHFFFAOYSA-N
XLogP2.14
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-fluorophenyl)methylamino]-2-oxo-1-pyridin-2-ylethyl] acetate?
The IUPAC name of [2-[(4-fluorophenyl)methylamino]-2-oxo-1-pyridin-2-ylethyl] acetate (CID 3230485) is [2-[(4-fluorophenyl)methylamino]-2-oxo-1-pyridin-2-ylethyl] acetate.
What is the SMILES notation for [2-[(4-fluorophenyl)methylamino]-2-oxo-1-pyridin-2-ylethyl] acetate?
The canonical SMILES for [2-[(4-fluorophenyl)methylamino]-2-oxo-1-pyridin-2-ylethyl] acetate is CC(=O)OC(C(=O)NCc1ccc(F)cc1)c1ccccn1.
What is the InChIKey of [2-[(4-fluorophenyl)methylamino]-2-oxo-1-pyridin-2-ylethyl] acetate?
The InChIKey is BCGFHTWFERBIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O3/c1-11(20)22-15(14-4-2-3-9-18-14)16(21)19-10-12-5-7-13(17)8-6-12/h2-9,15H,10H2,1H3,(H,19,21).
What are the key properties of [2-[(4-fluorophenyl)methylamino]-2-oxo-1-pyridin-2-ylethyl] acetate?
[2-[(4-fluorophenyl)methylamino]-2-oxo-1-pyridin-2-ylethyl] acetate has a molecular weight of 302.31 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-fluorophenyl)methylamino]-2-oxo-1-pyridin-2-ylethyl] acetate is sourced from PubChem (CID 3230485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).