2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-(3,4-difluorophenyl)acetamide

C16H12F5N3O2 — CID 55875429

IUPAC2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-(3,4-difluorophenyl)acetamide
SMILESO=C(Cn1nc(C2CC2)cc(C(F)(F)F)c1=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C16H12F5N3O2/c17-11-4-3-9(5-12(11)18)22-14(25)7-24-15(26)10(16(19,20)21)6-13(23-24)8-1-2-8/h3-6,8H,1-2,7H2,(H,22,25)
InChIKeyWLSHLQGWSHFTJL-UHFFFAOYSA-N
MW373.28 g/mol
LogP3.06
Rot. Bonds4

About 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-(3,4-difluorophenyl)acetamide

2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-(3,4-difluorophenyl)acetamide (PubChem CID 55875429) has the molecular formula C16H12F5N3O2 and a molecular weight of 373.28 g/mol. Its IUPAC name is 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-(3,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-(3,4-difluorophenyl)acetamide
PubChem CID55875429
Molecular FormulaC16H12F5N3O2
Molecular Weight373.28 g/mol
Exact Mass373.08
IUPAC Name2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-(3,4-difluorophenyl)acetamide
SMILESO=C(Cn1nc(C2CC2)cc(C(F)(F)F)c1=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C16H12F5N3O2/c17-11-4-3-9(5-12(11)18)22-14(25)7-24-15(26)10(16(19,20)21)6-13(23-24)8-1-2-8/h3-6,8H,1-2,7H2,(H,22,25)
InChIKeyWLSHLQGWSHFTJL-UHFFFAOYSA-N
XLogP3.06
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.28
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-(2,5-difluorophenyl)acetamide
CID 55875562
N-(4-chlorophenyl)-2-[[2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetyl]amino]benzamide
CID 55875040
2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-[4-(3-methylphenoxy)phenyl]acetamide
CID 55876072
2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 55874532
2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 55875296
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide
CID 55875043
N-(cyclohexylcarbamoyl)-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide
CID 55875175
N-[3-cyano-1-(4-fluorophenyl)-4,5-dimethylpyrrol-2-yl]-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide
CID 55876063
2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 55875167
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 122278445
N-(3-chloro-4-fluorophenyl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 998379
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(3-fluorophenyl)acetamide
CID 122278424

Frequently Asked Questions

What is the IUPAC name of 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-(3,4-difluorophenyl)acetamide?
The IUPAC name of 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-(3,4-difluorophenyl)acetamide (CID 55875429) is 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-(3,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-(3,4-difluorophenyl)acetamide?
The canonical SMILES for 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-(3,4-difluorophenyl)acetamide is O=C(Cn1nc(C2CC2)cc(C(F)(F)F)c1=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-(3,4-difluorophenyl)acetamide?
The InChIKey is WLSHLQGWSHFTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F5N3O2/c17-11-4-3-9(5-12(11)18)22-14(25)7-24-15(26)10(16(19,20)21)6-13(23-24)8-1-2-8/h3-6,8H,1-2,7H2,(H,22,25).
What are the key properties of 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-(3,4-difluorophenyl)acetamide?
2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-(3,4-difluorophenyl)acetamide has a molecular weight of 373.28 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-(3,4-difluorophenyl)acetamide is sourced from PubChem (CID 55875429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).