4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]butanamide

C21H16F5N3O2 — CID 16884941

IUPAC4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]butanamide
SMILESO=C(CCCn1nc(-c2ccc(F)cc2)ccc1=O)Nc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C21H16F5N3O2/c22-14-5-3-13(4-6-14)18-9-10-20(31)29(28-18)11-1-2-19(30)27-15-7-8-17(23)16(12-15)21(24,25)26/h3-10,12H,1-2,11H2,(H,27,30)
InChIKeyMQOOAROSYWKBKU-UHFFFAOYSA-N
MW437.37 g/mol
LogP4.63
Rot. Bonds6

About 4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]butanamide

4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]butanamide (PubChem CID 16884941) has the molecular formula C21H16F5N3O2 and a molecular weight of 437.37 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]butanamide
PubChem CID16884941
Molecular FormulaC21H16F5N3O2
Molecular Weight437.37 g/mol
Exact Mass437.12
IUPAC Name4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]butanamide
SMILESO=C(CCCn1nc(-c2ccc(F)cc2)ccc1=O)Nc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C21H16F5N3O2/c22-14-5-3-13(4-6-14)18-9-10-20(31)29(28-18)11-1-2-19(30)27-15-7-8-17(23)16(12-15)21(24,25)26/h3-10,12H,1-2,11H2,(H,27,30)
InChIKeyMQOOAROSYWKBKU-UHFFFAOYSA-N
XLogP4.63
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.37
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of 4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]butanamide (CID 16884941) is 4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for 4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]butanamide is O=C(CCCn1nc(-c2ccc(F)cc2)ccc1=O)Nc1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]butanamide?
The InChIKey is MQOOAROSYWKBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F5N3O2/c22-14-5-3-13(4-6-14)18-9-10-20(31)29(28-18)11-1-2-19(30)27-15-7-8-17(23)16(12-15)21(24,25)26/h3-10,12H,1-2,11H2,(H,27,30).
What are the key properties of 4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]butanamide?
4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]butanamide has a molecular weight of 437.37 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 16884941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).