4-fluoro-N-[3-[3-methyl-6-oxo-1-[4-(trifluoromethyl)phenyl]pyridazin-4-yl]phenyl]benzamide

C25H17F4N3O2 — CID 71542537

IUPAC4-fluoro-N-[3-[3-methyl-6-oxo-1-[4-(trifluoromethyl)phenyl]pyridazin-4-yl]phenyl]benzamide
SMILESCc1nn(-c2ccc(C(F)(F)F)cc2)c(=O)cc1-c1cccc(NC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C25H17F4N3O2/c1-15-22(14-23(33)32(31-15)21-11-7-18(8-12-21)25(27,28)29)17-3-2-4-20(13-17)30-24(34)16-5-9-19(26)10-6-16/h2-14H,1H3,(H,30,34)
InChIKeyPTBFDBJQMGFHRS-UHFFFAOYSA-N
MW467.42 g/mol
LogP5.62
Rot. Bonds4

About 4-fluoro-N-[3-[3-methyl-6-oxo-1-[4-(trifluoromethyl)phenyl]pyridazin-4-yl]phenyl]benzamide

4-fluoro-N-[3-[3-methyl-6-oxo-1-[4-(trifluoromethyl)phenyl]pyridazin-4-yl]phenyl]benzamide (PubChem CID 71542537) has the molecular formula C25H17F4N3O2 and a molecular weight of 467.42 g/mol. Its IUPAC name is 4-fluoro-N-[3-[3-methyl-6-oxo-1-[4-(trifluoromethyl)phenyl]pyridazin-4-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[3-[3-methyl-6-oxo-1-[4-(trifluoromethyl)phenyl]pyridazin-4-yl]phenyl]benzamide
PubChem CID71542537
Molecular FormulaC25H17F4N3O2
Molecular Weight467.42 g/mol
Exact Mass467.13
IUPAC Name4-fluoro-N-[3-[3-methyl-6-oxo-1-[4-(trifluoromethyl)phenyl]pyridazin-4-yl]phenyl]benzamide
SMILESCc1nn(-c2ccc(C(F)(F)F)cc2)c(=O)cc1-c1cccc(NC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C25H17F4N3O2/c1-15-22(14-23(33)32(31-15)21-11-7-18(8-12-21)25(27,28)29)17-3-2-4-20(13-17)30-24(34)16-5-9-19(26)10-6-16/h2-14H,1H3,(H,30,34)
InChIKeyPTBFDBJQMGFHRS-UHFFFAOYSA-N
XLogP5.62
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.42
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[3-(ethylsulfonylamino)phenyl]-3-methyl-6-oxopyridazin-1-yl]benzoic acid
CID 71541962
N-[3-[1-(4-cyanophenyl)-3-methyl-6-oxopyridazin-4-yl]phenyl]acetamide
CID 71542339
N-[3-[5-(4-fluorophenyl)-3-methoxy-1,2,4-triazol-1-yl]phenyl]-4-(trifluoromethyl)benzamide
CID 24718283
ethyl 1-(4-fluorophenyl)-6-oxo-4-[[4-(trifluoromethyl)benzoyl]amino]pyridazine-3-carboxylate
CID 16839561
4-[5-acetamido-4-(4-fluorophenyl)-3-methylpyrazol-1-yl]-N-(3-methylphenyl)benzamide
CID 46334959
4-[5-amino-3-(4-chlorophenyl)pyrazol-1-yl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 44763083
N-[4-[5-(3-fluorophenyl)-3-[(4-fluorophenyl)methoxy]-1,2,4-triazol-1-yl]phenyl]-4-(trifluoromethyl)benzamide
CID 46134245
(2R)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxy-N-[3-(trifluoromethyl)phenyl]propanamide
CID 92880845
N-[4-[3-ethoxy-5-(4-fluorophenyl)-1,2,4-triazol-1-yl]phenyl]-4-(trifluoromethyl)benzamide
CID 42809982
N-[3-[1-(3,5-difluorophenyl)-3-methyl-6-oxopyridazin-4-yl]phenyl]ethanesulfonamide
CID 71543079
N-[3-(2H-tetrazol-5-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 9404095
4-(2-oxoimidazolidin-1-yl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 110860885

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-[3-methyl-6-oxo-1-[4-(trifluoromethyl)phenyl]pyridazin-4-yl]phenyl]benzamide?
The IUPAC name of 4-fluoro-N-[3-[3-methyl-6-oxo-1-[4-(trifluoromethyl)phenyl]pyridazin-4-yl]phenyl]benzamide (CID 71542537) is 4-fluoro-N-[3-[3-methyl-6-oxo-1-[4-(trifluoromethyl)phenyl]pyridazin-4-yl]phenyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[3-[3-methyl-6-oxo-1-[4-(trifluoromethyl)phenyl]pyridazin-4-yl]phenyl]benzamide?
The canonical SMILES for 4-fluoro-N-[3-[3-methyl-6-oxo-1-[4-(trifluoromethyl)phenyl]pyridazin-4-yl]phenyl]benzamide is Cc1nn(-c2ccc(C(F)(F)F)cc2)c(=O)cc1-c1cccc(NC(=O)c2ccc(F)cc2)c1.
What is the InChIKey of 4-fluoro-N-[3-[3-methyl-6-oxo-1-[4-(trifluoromethyl)phenyl]pyridazin-4-yl]phenyl]benzamide?
The InChIKey is PTBFDBJQMGFHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17F4N3O2/c1-15-22(14-23(33)32(31-15)21-11-7-18(8-12-21)25(27,28)29)17-3-2-4-20(13-17)30-24(34)16-5-9-19(26)10-6-16/h2-14H,1H3,(H,30,34).
What are the key properties of 4-fluoro-N-[3-[3-methyl-6-oxo-1-[4-(trifluoromethyl)phenyl]pyridazin-4-yl]phenyl]benzamide?
4-fluoro-N-[3-[3-methyl-6-oxo-1-[4-(trifluoromethyl)phenyl]pyridazin-4-yl]phenyl]benzamide has a molecular weight of 467.42 g/mol, XLogP of 5.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-[3-methyl-6-oxo-1-[4-(trifluoromethyl)phenyl]pyridazin-4-yl]phenyl]benzamide is sourced from PubChem (CID 71542537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).