4-fluoro-N-[2-oxo-2-[[phenyl(pyridazin-3-yl)methyl]amino]ethyl]benzamide

C20H17FN4O2 — CID 44578960

IUPAC4-fluoro-N-[2-oxo-2-[[phenyl(pyridazin-3-yl)methyl]amino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(F)cc1)NC(c1ccccc1)c1cccnn1
InChIInChI=1S/C20H17FN4O2/c21-16-10-8-15(9-11-16)20(27)22-13-18(26)24-19(14-5-2-1-3-6-14)17-7-4-12-23-25-17/h1-12,19H,13H2,(H,22,27)(H,24,26)
InChIKeyBESWAUVYRXNIKU-UHFFFAOYSA-N
MW364.38 g/mol
LogP2.25
Rot. Bonds6

About 4-fluoro-N-[2-oxo-2-[[phenyl(pyridazin-3-yl)methyl]amino]ethyl]benzamide

4-fluoro-N-[2-oxo-2-[[phenyl(pyridazin-3-yl)methyl]amino]ethyl]benzamide (PubChem CID 44578960) has the molecular formula C20H17FN4O2 and a molecular weight of 364.38 g/mol. Its IUPAC name is 4-fluoro-N-[2-oxo-2-[[phenyl(pyridazin-3-yl)methyl]amino]ethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-oxo-2-[[phenyl(pyridazin-3-yl)methyl]amino]ethyl]benzamide
PubChem CID44578960
Molecular FormulaC20H17FN4O2
Molecular Weight364.38 g/mol
Exact Mass364.13
IUPAC Name4-fluoro-N-[2-oxo-2-[[phenyl(pyridazin-3-yl)methyl]amino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(F)cc1)NC(c1ccccc1)c1cccnn1
InChIInChI=1S/C20H17FN4O2/c21-16-10-8-15(9-11-16)20(27)22-13-18(26)24-19(14-5-2-1-3-6-14)17-7-4-12-23-25-17/h1-12,19H,13H2,(H,22,27)(H,24,26)
InChIKeyBESWAUVYRXNIKU-UHFFFAOYSA-N
XLogP2.25
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-oxo-2-[[phenyl(pyridazin-3-yl)methyl]amino]ethyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-oxo-2-[[phenyl(pyridazin-3-yl)methyl]amino]ethyl]benzamide (CID 44578960) is 4-fluoro-N-[2-oxo-2-[[phenyl(pyridazin-3-yl)methyl]amino]ethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-oxo-2-[[phenyl(pyridazin-3-yl)methyl]amino]ethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-oxo-2-[[phenyl(pyridazin-3-yl)methyl]amino]ethyl]benzamide is O=C(CNC(=O)c1ccc(F)cc1)NC(c1ccccc1)c1cccnn1.
What is the InChIKey of 4-fluoro-N-[2-oxo-2-[[phenyl(pyridazin-3-yl)methyl]amino]ethyl]benzamide?
The InChIKey is BESWAUVYRXNIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O2/c21-16-10-8-15(9-11-16)20(27)22-13-18(26)24-19(14-5-2-1-3-6-14)17-7-4-12-23-25-17/h1-12,19H,13H2,(H,22,27)(H,24,26).
What are the key properties of 4-fluoro-N-[2-oxo-2-[[phenyl(pyridazin-3-yl)methyl]amino]ethyl]benzamide?
4-fluoro-N-[2-oxo-2-[[phenyl(pyridazin-3-yl)methyl]amino]ethyl]benzamide has a molecular weight of 364.38 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-oxo-2-[[phenyl(pyridazin-3-yl)methyl]amino]ethyl]benzamide is sourced from PubChem (CID 44578960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).