N-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]acetamide

C19H15F2N3O2 — CID 67419615

IUPACN-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Cn2nc(-c3cc(F)cc(F)c3)ccc2=O)c1
InChIInChI=1S/C19H15F2N3O2/c1-12(25)22-17-4-2-3-13(7-17)11-24-19(26)6-5-18(23-24)14-8-15(20)10-16(21)9-14/h2-10H,11H2,1H3,(H,22,25)
InChIKeyNRWCFTBQWOMBFS-UHFFFAOYSA-N
MW355.34 g/mol
LogP3.20
Rot. Bonds4

About N-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]acetamide

N-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]acetamide (PubChem CID 67419615) has the molecular formula C19H15F2N3O2 and a molecular weight of 355.34 g/mol. Its IUPAC name is N-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]acetamide
PubChem CID67419615
Molecular FormulaC19H15F2N3O2
Molecular Weight355.34 g/mol
Exact Mass355.11
IUPAC NameN-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Cn2nc(-c3cc(F)cc(F)c3)ccc2=O)c1
InChIInChI=1S/C19H15F2N3O2/c1-12(25)22-17-4-2-3-13(7-17)11-24-19(26)6-5-18(23-24)14-8-15(20)10-16(21)9-14/h2-10H,11H2,1H3,(H,22,25)
InChIKeyNRWCFTBQWOMBFS-UHFFFAOYSA-N
XLogP3.20
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]acetamide?
The IUPAC name of N-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]acetamide (CID 67419615) is N-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]acetamide?
The canonical SMILES for N-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]acetamide is CC(=O)Nc1cccc(Cn2nc(-c3cc(F)cc(F)c3)ccc2=O)c1.
What is the InChIKey of N-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]acetamide?
The InChIKey is NRWCFTBQWOMBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3O2/c1-12(25)22-17-4-2-3-13(7-17)11-24-19(26)6-5-18(23-24)14-8-15(20)10-16(21)9-14/h2-10H,11H2,1H3,(H,22,25).
What are the key properties of N-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]acetamide?
N-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]acetamide has a molecular weight of 355.34 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 67419615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).