1-[(4-fluorophenyl)methyl]-N-methyl-6-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydropyridazine-3-carboxamide

C21H19F4N3O2 — CID 55771218

IUPAC1-[(4-fluorophenyl)methyl]-N-methyl-6-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydropyridazine-3-carboxamide
SMILESCN(Cc1ccc(C(F)(F)F)cc1)C(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1
InChIInChI=1S/C21H19F4N3O2/c1-27(12-14-2-6-16(7-3-14)21(23,24)25)20(30)18-10-11-19(29)28(26-18)13-15-4-8-17(22)9-5-15/h2-9H,10-13H2,1H3
InChIKeyFOFIABQBAOGPQF-UHFFFAOYSA-N
MW421.39 g/mol
LogP3.98
Rot. Bonds5

About 1-[(4-fluorophenyl)methyl]-N-methyl-6-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydropyridazine-3-carboxamide

1-[(4-fluorophenyl)methyl]-N-methyl-6-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydropyridazine-3-carboxamide (PubChem CID 55771218) has the molecular formula C21H19F4N3O2 and a molecular weight of 421.39 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-N-methyl-6-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-N-methyl-6-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydropyridazine-3-carboxamide
PubChem CID55771218
Molecular FormulaC21H19F4N3O2
Molecular Weight421.39 g/mol
Exact Mass421.14
IUPAC Name1-[(4-fluorophenyl)methyl]-N-methyl-6-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydropyridazine-3-carboxamide
SMILESCN(Cc1ccc(C(F)(F)F)cc1)C(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1
InChIInChI=1S/C21H19F4N3O2/c1-27(12-14-2-6-16(7-3-14)21(23,24)25)20(30)18-10-11-19(29)28(26-18)13-15-4-8-17(22)9-5-15/h2-9H,10-13H2,1H3
InChIKeyFOFIABQBAOGPQF-UHFFFAOYSA-N
XLogP3.98
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.39
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-N-methyl-6-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-N-methyl-6-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydropyridazine-3-carboxamide (CID 55771218) is 1-[(4-fluorophenyl)methyl]-N-methyl-6-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-N-methyl-6-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-N-methyl-6-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydropyridazine-3-carboxamide is CN(Cc1ccc(C(F)(F)F)cc1)C(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-N-methyl-6-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is FOFIABQBAOGPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F4N3O2/c1-27(12-14-2-6-16(7-3-14)21(23,24)25)20(30)18-10-11-19(29)28(26-18)13-15-4-8-17(22)9-5-15/h2-9H,10-13H2,1H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-N-methyl-6-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydropyridazine-3-carboxamide?
1-[(4-fluorophenyl)methyl]-N-methyl-6-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 421.39 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-N-methyl-6-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 55771218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).