4-[4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]butanoylamino]benzamide

C21H19FN4O3 — CID 16885013

IUPAC4-[4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]butanoylamino]benzamide
SMILESNC(=O)c1ccc(NC(=O)CCCn2nc(-c3ccc(F)cc3)ccc2=O)cc1
InChIInChI=1S/C21H19FN4O3/c22-16-7-3-14(4-8-16)18-11-12-20(28)26(25-18)13-1-2-19(27)24-17-9-5-15(6-10-17)21(23)29/h3-12H,1-2,13H2,(H2,23,29)(H,24,27)
InChIKeyFJDFRKOBYKTTPY-UHFFFAOYSA-N
MW394.41 g/mol
LogP2.57
Rot. Bonds7

About 4-[4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]butanoylamino]benzamide

4-[4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]butanoylamino]benzamide (PubChem CID 16885013) has the molecular formula C21H19FN4O3 and a molecular weight of 394.41 g/mol. Its IUPAC name is 4-[4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]butanoylamino]benzamide.

Molecular Properties

Compound Name4-[4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]butanoylamino]benzamide
PubChem CID16885013
Molecular FormulaC21H19FN4O3
Molecular Weight394.41 g/mol
Exact Mass394.14
IUPAC Name4-[4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]butanoylamino]benzamide
SMILESNC(=O)c1ccc(NC(=O)CCCn2nc(-c3ccc(F)cc3)ccc2=O)cc1
InChIInChI=1S/C21H19FN4O3/c22-16-7-3-14(4-8-16)18-11-12-20(28)26(25-18)13-1-2-19(27)24-17-9-5-15(6-10-17)21(23)29/h3-12H,1-2,13H2,(H2,23,29)(H,24,27)
InChIKeyFJDFRKOBYKTTPY-UHFFFAOYSA-N
XLogP2.57
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzamide
CID 51044126
N-(3,4-difluorophenyl)-4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]butanamide
CID 16884903
4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(3-methylphenyl)butanamide
CID 16884953
4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[3-(trifluoromethyl)phenyl]butanamide
CID 16884961
4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-propan-2-ylbutanamide
CID 16884867
N-(4-acetamidophenyl)-4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]butanamide
CID 16884859
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
CID 7664403
4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[4-(dimethylamino)phenyl]butanamide
CID 16884811
4-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[4-(diethylamino)phenyl]butanamide
CID 16884592
ethyl 4-[[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzoate
CID 7664475
4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]butanamide
CID 16885105
N-(1,3-benzothiazol-2-yl)-4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]butanamide
CID 16884924

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]butanoylamino]benzamide?
The IUPAC name of 4-[4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]butanoylamino]benzamide (CID 16885013) is 4-[4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]butanoylamino]benzamide.
What is the SMILES notation for 4-[4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]butanoylamino]benzamide?
The canonical SMILES for 4-[4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]butanoylamino]benzamide is NC(=O)c1ccc(NC(=O)CCCn2nc(-c3ccc(F)cc3)ccc2=O)cc1.
What is the InChIKey of 4-[4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]butanoylamino]benzamide?
The InChIKey is FJDFRKOBYKTTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O3/c22-16-7-3-14(4-8-16)18-11-12-20(28)26(25-18)13-1-2-19(27)24-17-9-5-15(6-10-17)21(23)29/h3-12H,1-2,13H2,(H2,23,29)(H,24,27).
What are the key properties of 4-[4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]butanoylamino]benzamide?
4-[4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]butanoylamino]benzamide has a molecular weight of 394.41 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]butanoylamino]benzamide is sourced from PubChem (CID 16885013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).