N-[3-[[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]acetamide

C19H16FN3O2 — CID 16747375

IUPACN-[3-[[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Cn2nc(-c3ccc(F)cc3)ccc2=O)c1
InChIInChI=1S/C19H16FN3O2/c1-13(24)21-17-4-2-3-14(11-17)12-23-19(25)10-9-18(22-23)15-5-7-16(20)8-6-15/h2-11H,12H2,1H3,(H,21,24)
InChIKeyLDLGNJRJNUGQTH-UHFFFAOYSA-N
MW337.35 g/mol
LogP3.06
Rot. Bonds4

About N-[3-[[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]acetamide

N-[3-[[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]acetamide (PubChem CID 16747375) has the molecular formula C19H16FN3O2 and a molecular weight of 337.35 g/mol. Its IUPAC name is N-[3-[[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]acetamide
PubChem CID16747375
Molecular FormulaC19H16FN3O2
Molecular Weight337.35 g/mol
Exact Mass337.12
IUPAC NameN-[3-[[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Cn2nc(-c3ccc(F)cc3)ccc2=O)c1
InChIInChI=1S/C19H16FN3O2/c1-13(24)21-17-4-2-3-14(11-17)12-23-19(25)10-9-18(22-23)15-5-7-16(20)8-6-15/h2-11H,12H2,1H3,(H,21,24)
InChIKeyLDLGNJRJNUGQTH-UHFFFAOYSA-N
XLogP3.06
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]acetamide?
The IUPAC name of N-[3-[[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]acetamide (CID 16747375) is N-[3-[[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]acetamide?
The canonical SMILES for N-[3-[[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]acetamide is CC(=O)Nc1cccc(Cn2nc(-c3ccc(F)cc3)ccc2=O)c1.
What is the InChIKey of N-[3-[[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]acetamide?
The InChIKey is LDLGNJRJNUGQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O2/c1-13(24)21-17-4-2-3-14(11-17)12-23-19(25)10-9-18(22-23)15-5-7-16(20)8-6-15/h2-11H,12H2,1H3,(H,21,24).
What are the key properties of N-[3-[[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]acetamide?
N-[3-[[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]acetamide has a molecular weight of 337.35 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 16747375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).