4-[[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzamide

C19H15FN4O3 — CID 51044126

IUPAC4-[[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)Cn2nc(-c3ccc(F)cc3)ccc2=O)cc1
InChIInChI=1S/C19H15FN4O3/c20-14-5-1-12(2-6-14)16-9-10-18(26)24(23-16)11-17(25)22-15-7-3-13(4-8-15)19(21)27/h1-10H,11H2,(H2,21,27)(H,22,25)
InChIKeyQXXDRRDRUADPDG-UHFFFAOYSA-N
MW366.35 g/mol
LogP1.79
Rot. Bonds5

About 4-[[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzamide

4-[[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzamide (PubChem CID 51044126) has the molecular formula C19H15FN4O3 and a molecular weight of 366.35 g/mol. Its IUPAC name is 4-[[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzamide
PubChem CID51044126
Molecular FormulaC19H15FN4O3
Molecular Weight366.35 g/mol
Exact Mass366.11
IUPAC Name4-[[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)Cn2nc(-c3ccc(F)cc3)ccc2=O)cc1
InChIInChI=1S/C19H15FN4O3/c20-14-5-1-12(2-6-14)16-9-10-18(26)24(23-16)11-17(25)22-15-7-3-13(4-8-15)19(21)27/h1-10H,11H2,(H2,21,27)(H,22,25)
InChIKeyQXXDRRDRUADPDG-UHFFFAOYSA-N
XLogP1.79
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.35
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
CID 7664403
4-[4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]butanoylamino]benzamide
CID 16885013
ethyl 4-[[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzoate
CID 7664475
4-[[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzamide
CID 51049093
N-(4-fluorophenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 121052752
2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 7662136
N-(4-fluorophenyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide
CID 121052508
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 6852091
N-(3-fluoro-4-methoxyphenyl)-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 46858983
N-(2,5-difluorophenyl)-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 46858972
N-[5-[1-[2-(4-fluoroanilino)-2-oxoethyl]-6-oxopyridazin-3-yl]-2-methylphenyl]propanamide
CID 27518001
N-(4-acetylphenyl)-2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7663125

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzamide?
The IUPAC name of 4-[[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzamide (CID 51044126) is 4-[[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzamide is NC(=O)c1ccc(NC(=O)Cn2nc(-c3ccc(F)cc3)ccc2=O)cc1.
What is the InChIKey of 4-[[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzamide?
The InChIKey is QXXDRRDRUADPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O3/c20-14-5-1-12(2-6-14)16-9-10-18(26)24(23-16)11-17(25)22-15-7-3-13(4-8-15)19(21)27/h1-10H,11H2,(H2,21,27)(H,22,25).
What are the key properties of 4-[[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzamide?
4-[[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzamide has a molecular weight of 366.35 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzamide is sourced from PubChem (CID 51044126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).