4-chloro-5-[(3-fluoro-4-methylphenyl)methylamino]-2-phenylpyridazin-3-one

C18H15ClFN3O — CID 18291225

IUPAC4-chloro-5-[(3-fluoro-4-methylphenyl)methylamino]-2-phenylpyridazin-3-one
SMILESCc1ccc(CNc2cnn(-c3ccccc3)c(=O)c2Cl)cc1F
InChIInChI=1S/C18H15ClFN3O/c1-12-7-8-13(9-15(12)20)10-21-16-11-22-23(18(24)17(16)19)14-5-3-2-4-6-14/h2-9,11,21H,10H2,1H3
InChIKeyZEXYFDHYUOHISY-UHFFFAOYSA-N
MW343.79 g/mol
LogP3.95
Rot. Bonds4

About 4-chloro-5-[(3-fluoro-4-methylphenyl)methylamino]-2-phenylpyridazin-3-one

4-chloro-5-[(3-fluoro-4-methylphenyl)methylamino]-2-phenylpyridazin-3-one (PubChem CID 18291225) has the molecular formula C18H15ClFN3O and a molecular weight of 343.79 g/mol. Its IUPAC name is 4-chloro-5-[(3-fluoro-4-methylphenyl)methylamino]-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[(3-fluoro-4-methylphenyl)methylamino]-2-phenylpyridazin-3-one
PubChem CID18291225
Molecular FormulaC18H15ClFN3O
Molecular Weight343.79 g/mol
Exact Mass343.09
IUPAC Name4-chloro-5-[(3-fluoro-4-methylphenyl)methylamino]-2-phenylpyridazin-3-one
SMILESCc1ccc(CNc2cnn(-c3ccccc3)c(=O)c2Cl)cc1F
InChIInChI=1S/C18H15ClFN3O/c1-12-7-8-13(9-15(12)20)10-21-16-11-22-23(18(24)17(16)19)14-5-3-2-4-6-14/h2-9,11,21H,10H2,1H3
InChIKeyZEXYFDHYUOHISY-UHFFFAOYSA-N
XLogP3.95
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.79
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-5-[(3-fluoro-4-pyridin-3-yloxyphenyl)methylamino]-2-phenylpyridazin-3-one
CID 133274440
4-chloro-5-[2-(2-fluorophenyl)ethylamino]-2-phenylpyridazin-3-one
CID 9172583
4-chloro-2-phenyl-5-[(2-piperidin-1-yl-4-pyridinyl)methylamino]pyridazin-3-one
CID 55830941
4-chloro-5-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methylamino]-2-phenylpyridazin-3-one
CID 133471935
2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]-N-(2,6-dimethylphenyl)acetamide
CID 9195713
ethyl 2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]acetate
CID 15152626
2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]acetamide
CID 8567196
4-chloro-2-(4-chlorophenyl)-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylamino)pyridazin-3-one
CID 133286941
4-chloro-5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-phenylpyridazin-3-one
CID 9113184
4-chloro-5-(2-methylhydrazinyl)-2-phenylpyridazin-3-one
CID 24998005
4-chloro-5-[(4-hydroxy-2,2-dimethylbutyl)amino]-2-phenylpyridazin-3-one
CID 133332334
4-chloro-2-(4-nitrophenyl)-5-[(4-nitrophenyl)methylamino]pyridazin-3-one
CID 133283797

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[(3-fluoro-4-methylphenyl)methylamino]-2-phenylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[(3-fluoro-4-methylphenyl)methylamino]-2-phenylpyridazin-3-one (CID 18291225) is 4-chloro-5-[(3-fluoro-4-methylphenyl)methylamino]-2-phenylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[(3-fluoro-4-methylphenyl)methylamino]-2-phenylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[(3-fluoro-4-methylphenyl)methylamino]-2-phenylpyridazin-3-one is Cc1ccc(CNc2cnn(-c3ccccc3)c(=O)c2Cl)cc1F.
What is the InChIKey of 4-chloro-5-[(3-fluoro-4-methylphenyl)methylamino]-2-phenylpyridazin-3-one?
The InChIKey is ZEXYFDHYUOHISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O/c1-12-7-8-13(9-15(12)20)10-21-16-11-22-23(18(24)17(16)19)14-5-3-2-4-6-14/h2-9,11,21H,10H2,1H3.
What are the key properties of 4-chloro-5-[(3-fluoro-4-methylphenyl)methylamino]-2-phenylpyridazin-3-one?
4-chloro-5-[(3-fluoro-4-methylphenyl)methylamino]-2-phenylpyridazin-3-one has a molecular weight of 343.79 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[(3-fluoro-4-methylphenyl)methylamino]-2-phenylpyridazin-3-one is sourced from PubChem (CID 18291225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).