6-benzoyl-2-(4-chlorophenyl)-5-(trifluoromethyl)pyridazin-3-one

C18H10ClF3N2O2 — CID 3798960

IUPAC6-benzoyl-2-(4-chlorophenyl)-5-(trifluoromethyl)pyridazin-3-one
SMILESO=C(c1ccccc1)c1nn(-c2ccc(Cl)cc2)c(=O)cc1C(F)(F)F
InChIInChI=1S/C18H10ClF3N2O2/c19-12-6-8-13(9-7-12)24-15(25)10-14(18(20,21)22)16(23-24)17(26)11-4-2-1-3-5-11/h1-10H
InChIKeyXQHUKZSWMUIJAL-UHFFFAOYSA-N
MW378.74 g/mol
LogP4.14
Rot. Bonds3

About 6-benzoyl-2-(4-chlorophenyl)-5-(trifluoromethyl)pyridazin-3-one

6-benzoyl-2-(4-chlorophenyl)-5-(trifluoromethyl)pyridazin-3-one (PubChem CID 3798960) has the molecular formula C18H10ClF3N2O2 and a molecular weight of 378.74 g/mol. Its IUPAC name is 6-benzoyl-2-(4-chlorophenyl)-5-(trifluoromethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-benzoyl-2-(4-chlorophenyl)-5-(trifluoromethyl)pyridazin-3-one
PubChem CID3798960
Molecular FormulaC18H10ClF3N2O2
Molecular Weight378.74 g/mol
Exact Mass378.04
IUPAC Name6-benzoyl-2-(4-chlorophenyl)-5-(trifluoromethyl)pyridazin-3-one
SMILESO=C(c1ccccc1)c1nn(-c2ccc(Cl)cc2)c(=O)cc1C(F)(F)F
InChIInChI=1S/C18H10ClF3N2O2/c19-12-6-8-13(9-7-12)24-15(25)10-14(18(20,21)22)16(23-24)17(26)11-4-2-1-3-5-11/h1-10H
InChIKeyXQHUKZSWMUIJAL-UHFFFAOYSA-N
XLogP4.14
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.74
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-Dichloro-phenyl)-4-methyl-2H-phthalazin-1-one
CID 627678
2-(4-Chlorophenyl)-1-phthalazinone
CID 519224
N-(4-chlorophenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 718212
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetamide
CID 4844498
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3-methyl-4-oxo-phthalazin-1-yl)acetamide
CID 5077741
4-(4-chlorobenzoyl)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
CID 11836343
N-(4-chloro-3-fluoro-phenyl)-2-(3-methyl-4-oxo-phthalazin-1-yl)acetamide
CID 70851046
2-(4-chlorophenyl)-4-methyl-1(2H)-phthalazinone
CID 3454514
6-(3-chlorobenzoyl)-2-phenyl-5-(trifluoromethyl)-3(2H)-pyridazinone
CID 1477247
4-(4-chlorophenyl)-2-phenyl-1(2H)-phthalazinone
CID 2806471
6-Benzoyl-2-phenyl-5-(trifluoromethyl)-3-pyridazinone
CID 4271806
1,2-bis(4-chlorophenyl)-3,5-dioxo-N-phenylpyrazolidine-4-carboxamide
CID 16049809

Frequently Asked Questions

What is the IUPAC name of 6-benzoyl-2-(4-chlorophenyl)-5-(trifluoromethyl)pyridazin-3-one?
The IUPAC name of 6-benzoyl-2-(4-chlorophenyl)-5-(trifluoromethyl)pyridazin-3-one (CID 3798960) is 6-benzoyl-2-(4-chlorophenyl)-5-(trifluoromethyl)pyridazin-3-one.
What is the SMILES notation for 6-benzoyl-2-(4-chlorophenyl)-5-(trifluoromethyl)pyridazin-3-one?
The canonical SMILES for 6-benzoyl-2-(4-chlorophenyl)-5-(trifluoromethyl)pyridazin-3-one is O=C(c1ccccc1)c1nn(-c2ccc(Cl)cc2)c(=O)cc1C(F)(F)F.
What is the InChIKey of 6-benzoyl-2-(4-chlorophenyl)-5-(trifluoromethyl)pyridazin-3-one?
The InChIKey is XQHUKZSWMUIJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10ClF3N2O2/c19-12-6-8-13(9-7-12)24-15(25)10-14(18(20,21)22)16(23-24)17(26)11-4-2-1-3-5-11/h1-10H.
What are the key properties of 6-benzoyl-2-(4-chlorophenyl)-5-(trifluoromethyl)pyridazin-3-one?
6-benzoyl-2-(4-chlorophenyl)-5-(trifluoromethyl)pyridazin-3-one has a molecular weight of 378.74 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzoyl-2-(4-chlorophenyl)-5-(trifluoromethyl)pyridazin-3-one is sourced from PubChem (CID 3798960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).