5-[1-(4-fluorophenyl)ethylamino]-2,3-dihydrophthalazine-1,4-dione

C16H14FN3O2 — CID 43824686

IUPAC5-[1-(4-fluorophenyl)ethylamino]-2,3-dihydrophthalazine-1,4-dione
SMILESCC(Nc1cccc2c(=O)[nH][nH]c(=O)c12)c1ccc(F)cc1
InChIInChI=1S/C16H14FN3O2/c1-9(10-5-7-11(17)8-6-10)18-13-4-2-3-12-14(13)16(22)20-19-15(12)21/h2-9,18H,1H3,(H,19,21)(H,20,22)
InChIKeyUOQNMOLJYTXKAS-UHFFFAOYSA-N
MW299.31 g/mol
LogP2.53
Rot. Bonds3

About 5-[1-(4-fluorophenyl)ethylamino]-2,3-dihydrophthalazine-1,4-dione

5-[1-(4-fluorophenyl)ethylamino]-2,3-dihydrophthalazine-1,4-dione (PubChem CID 43824686) has the molecular formula C16H14FN3O2 and a molecular weight of 299.31 g/mol. Its IUPAC name is 5-[1-(4-fluorophenyl)ethylamino]-2,3-dihydrophthalazine-1,4-dione.

Molecular Properties

Compound Name5-[1-(4-fluorophenyl)ethylamino]-2,3-dihydrophthalazine-1,4-dione
PubChem CID43824686
Molecular FormulaC16H14FN3O2
Molecular Weight299.31 g/mol
Exact Mass299.11
IUPAC Name5-[1-(4-fluorophenyl)ethylamino]-2,3-dihydrophthalazine-1,4-dione
SMILESCC(Nc1cccc2c(=O)[nH][nH]c(=O)c12)c1ccc(F)cc1
InChIInChI=1S/C16H14FN3O2/c1-9(10-5-7-11(17)8-6-10)18-13-4-2-3-12-14(13)16(22)20-19-15(12)21/h2-9,18H,1H3,(H,19,21)(H,20,22)
InChIKeyUOQNMOLJYTXKAS-UHFFFAOYSA-N
XLogP2.53
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-fluorophenyl)ethylamino]-2,3-dihydrophthalazine-1,4-dione?
The IUPAC name of 5-[1-(4-fluorophenyl)ethylamino]-2,3-dihydrophthalazine-1,4-dione (CID 43824686) is 5-[1-(4-fluorophenyl)ethylamino]-2,3-dihydrophthalazine-1,4-dione.
What is the SMILES notation for 5-[1-(4-fluorophenyl)ethylamino]-2,3-dihydrophthalazine-1,4-dione?
The canonical SMILES for 5-[1-(4-fluorophenyl)ethylamino]-2,3-dihydrophthalazine-1,4-dione is CC(Nc1cccc2c(=O)[nH][nH]c(=O)c12)c1ccc(F)cc1.
What is the InChIKey of 5-[1-(4-fluorophenyl)ethylamino]-2,3-dihydrophthalazine-1,4-dione?
The InChIKey is UOQNMOLJYTXKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2/c1-9(10-5-7-11(17)8-6-10)18-13-4-2-3-12-14(13)16(22)20-19-15(12)21/h2-9,18H,1H3,(H,19,21)(H,20,22).
What are the key properties of 5-[1-(4-fluorophenyl)ethylamino]-2,3-dihydrophthalazine-1,4-dione?
5-[1-(4-fluorophenyl)ethylamino]-2,3-dihydrophthalazine-1,4-dione has a molecular weight of 299.31 g/mol, XLogP of 2.53, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-fluorophenyl)ethylamino]-2,3-dihydrophthalazine-1,4-dione is sourced from PubChem (CID 43824686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).