N-(4-chlorophenyl)-2-[[2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetyl]amino]benzamide

C23H18ClF3N4O3 — CID 55875040

IUPACN-(4-chlorophenyl)-2-[[2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetyl]amino]benzamide
SMILESO=C(Cn1nc(C2CC2)cc(C(F)(F)F)c1=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C23H18ClF3N4O3/c24-14-7-9-15(10-8-14)28-21(33)16-3-1-2-4-18(16)29-20(32)12-31-22(34)17(23(25,26)27)11-19(30-31)13-5-6-13/h1-4,7-11,13H,5-6,12H2,(H,28,33)(H,29,32)
InChIKeyXBMJWKREYSWANP-UHFFFAOYSA-N
MW490.87 g/mol
LogP4.68
Rot. Bonds6

About N-(4-chlorophenyl)-2-[[2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetyl]amino]benzamide

N-(4-chlorophenyl)-2-[[2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetyl]amino]benzamide (PubChem CID 55875040) has the molecular formula C23H18ClF3N4O3 and a molecular weight of 490.87 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[[2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[[2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetyl]amino]benzamide
PubChem CID55875040
Molecular FormulaC23H18ClF3N4O3
Molecular Weight490.87 g/mol
Exact Mass490.10
IUPAC NameN-(4-chlorophenyl)-2-[[2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetyl]amino]benzamide
SMILESO=C(Cn1nc(C2CC2)cc(C(F)(F)F)c1=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C23H18ClF3N4O3/c24-14-7-9-15(10-8-14)28-21(33)16-3-1-2-4-18(16)29-20(32)12-31-22(34)17(23(25,26)27)11-19(30-31)13-5-6-13/h1-4,7-11,13H,5-6,12H2,(H,28,33)(H,29,32)
InChIKeyXBMJWKREYSWANP-UHFFFAOYSA-N
XLogP4.68
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.87
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-(3,4-difluorophenyl)acetamide
CID 55875429
2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-(2,5-difluorophenyl)acetamide
CID 55875562
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
2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-[4-(3-methylphenoxy)phenyl]acetamide
CID 55876072
N-(4-chlorophenyl)-2-[[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetyl]amino]benzamide
CID 24683894
N-(4-chlorophenyl)-2-[[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]amino]benzamide
CID 78852045
2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 55874532
3-[2-[2-[(4-fluorophenyl)carbamoyl]anilino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
CID 16611031
N-(cyclohexylcarbamoyl)-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide
CID 55875175
2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 55875167
N-[3-cyano-1-(4-fluorophenyl)-4,5-dimethylpyrrol-2-yl]-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide
CID 55876063

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[[2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetyl]amino]benzamide?
The IUPAC name of N-(4-chlorophenyl)-2-[[2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetyl]amino]benzamide (CID 55875040) is N-(4-chlorophenyl)-2-[[2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetyl]amino]benzamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[[2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetyl]amino]benzamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[[2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetyl]amino]benzamide is O=C(Cn1nc(C2CC2)cc(C(F)(F)F)c1=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[[2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetyl]amino]benzamide?
The InChIKey is XBMJWKREYSWANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClF3N4O3/c24-14-7-9-15(10-8-14)28-21(33)16-3-1-2-4-18(16)29-20(32)12-31-22(34)17(23(25,26)27)11-19(30-31)13-5-6-13/h1-4,7-11,13H,5-6,12H2,(H,28,33)(H,29,32).
What are the key properties of N-(4-chlorophenyl)-2-[[2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetyl]amino]benzamide?
N-(4-chlorophenyl)-2-[[2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetyl]amino]benzamide has a molecular weight of 490.87 g/mol, XLogP of 4.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[[2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetyl]amino]benzamide is sourced from PubChem (CID 55875040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).