3-[3-fluoro-4-(4-fluorophenyl)-2-methylphenyl]-4,5-dihydro-1H-pyridazin-6-one

C17H14F2N2O — CID 154614489

IUPAC3-[3-fluoro-4-(4-fluorophenyl)-2-methylphenyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESCc1c(C2=NNC(=O)CC2)ccc(-c2ccc(F)cc2)c1F
InChIInChI=1S/C17H14F2N2O/c1-10-13(15-8-9-16(22)21-20-15)6-7-14(17(10)19)11-2-4-12(18)5-3-11/h2-7H,8-9H2,1H3,(H,21,22)
InChIKeyIDAJEFAFCVTUJC-UHFFFAOYSA-N
MW300.31 g/mol
LogP3.55
Rot. Bonds2

About 3-[3-fluoro-4-(4-fluorophenyl)-2-methylphenyl]-4,5-dihydro-1H-pyridazin-6-one

3-[3-fluoro-4-(4-fluorophenyl)-2-methylphenyl]-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 154614489) has the molecular formula C17H14F2N2O and a molecular weight of 300.31 g/mol. Its IUPAC name is 3-[3-fluoro-4-(4-fluorophenyl)-2-methylphenyl]-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[3-fluoro-4-(4-fluorophenyl)-2-methylphenyl]-4,5-dihydro-1H-pyridazin-6-one
PubChem CID154614489
Molecular FormulaC17H14F2N2O
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name3-[3-fluoro-4-(4-fluorophenyl)-2-methylphenyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESCc1c(C2=NNC(=O)CC2)ccc(-c2ccc(F)cc2)c1F
InChIInChI=1S/C17H14F2N2O/c1-10-13(15-8-9-16(22)21-20-15)6-7-14(17(10)19)11-2-4-12(18)5-3-11/h2-7H,8-9H2,1H3,(H,21,22)
InChIKeyIDAJEFAFCVTUJC-UHFFFAOYSA-N
XLogP3.55
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-fluoro-4-(5-fluoro-2-methylphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 137463241
3-[4-(2-fluorophenyl)-3-methylphenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 137463145
2-fluoro-3-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzonitrile
CID 137463494
3-[3-fluoro-2-methoxy-4-(2-methoxyphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 154614507
3-[4-(3,4-difluorophenyl)-3-fluorophenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 137465198
3-(4-methoxy-2-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one
CID 10489002
3-[4-methyl-3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 67154935
3-(3-chloro-5-fluoro-4-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one
CID 54155434
3-[4-(3-chloro-4-fluorophenyl)-3-fluorophenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 137463297
3-[3-fluoro-4-(2-hydroxyphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 137473738
3-[4-(dimethylamino)phenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 119091390
3-[3-fluoro-4-(5-hydroxy-2-methoxyphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 137473956

Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-4-(4-fluorophenyl)-2-methylphenyl]-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-[3-fluoro-4-(4-fluorophenyl)-2-methylphenyl]-4,5-dihydro-1H-pyridazin-6-one (CID 154614489) is 3-[3-fluoro-4-(4-fluorophenyl)-2-methylphenyl]-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-[3-fluoro-4-(4-fluorophenyl)-2-methylphenyl]-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-[3-fluoro-4-(4-fluorophenyl)-2-methylphenyl]-4,5-dihydro-1H-pyridazin-6-one is Cc1c(C2=NNC(=O)CC2)ccc(-c2ccc(F)cc2)c1F.
What is the InChIKey of 3-[3-fluoro-4-(4-fluorophenyl)-2-methylphenyl]-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is IDAJEFAFCVTUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O/c1-10-13(15-8-9-16(22)21-20-15)6-7-14(17(10)19)11-2-4-12(18)5-3-11/h2-7H,8-9H2,1H3,(H,21,22).
What are the key properties of 3-[3-fluoro-4-(4-fluorophenyl)-2-methylphenyl]-4,5-dihydro-1H-pyridazin-6-one?
3-[3-fluoro-4-(4-fluorophenyl)-2-methylphenyl]-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 300.31 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-4-(4-fluorophenyl)-2-methylphenyl]-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 154614489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).