1-[3-[[6-(2-fluorophenyl)pyridazin-3-yl]amino]phenyl]ethanone

C18H14FN3O — CID 6411230

IUPAC1-[3-[[6-(2-fluorophenyl)pyridazin-3-yl]amino]phenyl]ethanone
SMILESCC(=O)c1cccc(Nc2ccc(-c3ccccc3F)nn2)c1
InChIInChI=1S/C18H14FN3O/c1-12(23)13-5-4-6-14(11-13)20-18-10-9-17(21-22-18)15-7-2-3-8-16(15)19/h2-11H,1H3,(H,20,22)
InChIKeyHMTVVJKNTYKEEP-UHFFFAOYSA-N
MW307.33 g/mol
LogP4.23
Rot. Bonds4

About 1-[3-[[6-(2-fluorophenyl)pyridazin-3-yl]amino]phenyl]ethanone

1-[3-[[6-(2-fluorophenyl)pyridazin-3-yl]amino]phenyl]ethanone (PubChem CID 6411230) has the molecular formula C18H14FN3O and a molecular weight of 307.33 g/mol. Its IUPAC name is 1-[3-[[6-(2-fluorophenyl)pyridazin-3-yl]amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[[6-(2-fluorophenyl)pyridazin-3-yl]amino]phenyl]ethanone
PubChem CID6411230
Molecular FormulaC18H14FN3O
Molecular Weight307.33 g/mol
Exact Mass307.11
IUPAC Name1-[3-[[6-(2-fluorophenyl)pyridazin-3-yl]amino]phenyl]ethanone
SMILESCC(=O)c1cccc(Nc2ccc(-c3ccccc3F)nn2)c1
InChIInChI=1S/C18H14FN3O/c1-12(23)13-5-4-6-14(11-13)20-18-10-9-17(21-22-18)15-7-2-3-8-16(15)19/h2-11H,1H3,(H,20,22)
InChIKeyHMTVVJKNTYKEEP-UHFFFAOYSA-N
XLogP4.23
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[[6-(2-fluorophenyl)pyridazin-3-yl]amino]phenyl]ethanone?
The IUPAC name of 1-[3-[[6-(2-fluorophenyl)pyridazin-3-yl]amino]phenyl]ethanone (CID 6411230) is 1-[3-[[6-(2-fluorophenyl)pyridazin-3-yl]amino]phenyl]ethanone.
What is the SMILES notation for 1-[3-[[6-(2-fluorophenyl)pyridazin-3-yl]amino]phenyl]ethanone?
The canonical SMILES for 1-[3-[[6-(2-fluorophenyl)pyridazin-3-yl]amino]phenyl]ethanone is CC(=O)c1cccc(Nc2ccc(-c3ccccc3F)nn2)c1.
What is the InChIKey of 1-[3-[[6-(2-fluorophenyl)pyridazin-3-yl]amino]phenyl]ethanone?
The InChIKey is HMTVVJKNTYKEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O/c1-12(23)13-5-4-6-14(11-13)20-18-10-9-17(21-22-18)15-7-2-3-8-16(15)19/h2-11H,1H3,(H,20,22).
What are the key properties of 1-[3-[[6-(2-fluorophenyl)pyridazin-3-yl]amino]phenyl]ethanone?
1-[3-[[6-(2-fluorophenyl)pyridazin-3-yl]amino]phenyl]ethanone has a molecular weight of 307.33 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[6-(2-fluorophenyl)pyridazin-3-yl]amino]phenyl]ethanone is sourced from PubChem (CID 6411230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).