N-[(2-fluorophenyl)methyl]-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzamide

C18H16FN3O2 — CID 20765705

IUPACN-[(2-fluorophenyl)methyl]-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzamide
SMILESO=C1CCC(c2ccc(C(=O)NCc3ccccc3F)cc2)=NN1
InChIInChI=1S/C18H16FN3O2/c19-15-4-2-1-3-14(15)11-20-18(24)13-7-5-12(6-8-13)16-9-10-17(23)22-21-16/h1-8H,9-11H2,(H,20,24)(H,22,23)
InChIKeyZIKVFVBGFJSJRL-UHFFFAOYSA-N
MW325.34 g/mol
LogP2.37
Rot. Bonds4

About N-[(2-fluorophenyl)methyl]-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzamide

N-[(2-fluorophenyl)methyl]-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzamide (PubChem CID 20765705) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzamide
PubChem CID20765705
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC NameN-[(2-fluorophenyl)methyl]-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzamide
SMILESO=C1CCC(c2ccc(C(=O)NCc3ccccc3F)cc2)=NN1
InChIInChI=1S/C18H16FN3O2/c19-15-4-2-1-3-14(15)11-20-18(24)13-7-5-12(6-8-13)16-9-10-17(23)22-21-16/h1-8H,9-11H2,(H,20,24)(H,22,23)
InChIKeyZIKVFVBGFJSJRL-UHFFFAOYSA-N
XLogP2.37
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-fluorophenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 8870756
N-[(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)methyl]benzamide
CID 14971533
4-(1,3-dioxoisoindol-2-yl)-N-[(2-fluorophenyl)methyl]benzamide
CID 8870691
4-N-[(2-fluorophenyl)methyl]-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide
CID 109047171
N-[(2-fluorophenyl)methyl]-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102711893
4-N-tert-butyl-1-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 48847731
4-cyano-N-[(2-fluorophenyl)methyl]benzamide
CID 4798282
1-N-butyl-4-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109043672
N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 7758239
1-N-[(2-fluorophenyl)methyl]-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109047183
N-[(2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)benzamide
CID 71690177
N-[(2-fluorophenyl)methyl]-1H-indole-6-carboxamide
CID 39717434

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzamide (CID 20765705) is N-[(2-fluorophenyl)methyl]-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzamide is O=C1CCC(c2ccc(C(=O)NCc3ccccc3F)cc2)=NN1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzamide?
The InChIKey is ZIKVFVBGFJSJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c19-15-4-2-1-3-14(15)11-20-18(24)13-7-5-12(6-8-13)16-9-10-17(23)22-21-16/h1-8H,9-11H2,(H,20,24)(H,22,23).
What are the key properties of N-[(2-fluorophenyl)methyl]-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzamide?
N-[(2-fluorophenyl)methyl]-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzamide has a molecular weight of 325.34 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzamide is sourced from PubChem (CID 20765705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).