N-(3-fluoro-4-methylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide

C19H15F2N3O2 — CID 27376566

IUPACN-(3-fluoro-4-methylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(=O)n(Cc3ccc(F)cc3)n2)cc1F
InChIInChI=1S/C19H15F2N3O2/c1-12-2-7-15(10-16(12)21)22-19(26)17-8-9-18(25)24(23-17)11-13-3-5-14(20)6-4-13/h2-10H,11H2,1H3,(H,22,26)
InChIKeyJHKRBVZQWULVMI-UHFFFAOYSA-N
MW355.34 g/mol
LogP3.13
Rot. Bonds4

About N-(3-fluoro-4-methylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide

N-(3-fluoro-4-methylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide (PubChem CID 27376566) has the molecular formula C19H15F2N3O2 and a molecular weight of 355.34 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide
PubChem CID27376566
Molecular FormulaC19H15F2N3O2
Molecular Weight355.34 g/mol
Exact Mass355.11
IUPAC NameN-(3-fluoro-4-methylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(=O)n(Cc3ccc(F)cc3)n2)cc1F
InChIInChI=1S/C19H15F2N3O2/c1-12-2-7-15(10-16(12)21)22-19(26)17-8-9-18(25)24(23-17)11-13-3-5-14(20)6-4-13/h2-10H,11H2,1H3,(H,22,26)
InChIKeyJHKRBVZQWULVMI-UHFFFAOYSA-N
XLogP3.13
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.34
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 709340
4-(4-Dimethylamino-benzylidene)-2-(3-fluoro-phenyl)-5-methyl-2,4-dihydro-pyrazol-3-one
CID 5284927
2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-N-(4-methylphenyl)acetamide
CID 600118
3-(dimethylamino)propyl N-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]carbamate
CID 16122938
3-(dimethylamino)propyl N-[3-[[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]carbamate
CID 59849751
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(3-methyl-4-oxo-phthalazin-1-yl)acetamide
CID 70850904
N-([1,1'-biphenyl]-2-yl)-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 4916029
3H-Pyrazol-3-one, 4-[[4-(dimethylamino)phenyl]methylene]-2,4-dihydro-5-methyl-2-phenyl-
CID 5472494
1-(3,4-difluorobenzyl)-6-oxo-N-phenyl-1,6-dihydro-3-pyridinecarboxamide
CID 2764861
N-(3-fluoro-4-methylphenyl)-2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetamide
CID 2975205
2-Benzyl-4-(4-dimethylamino-benzylidene)-5-methyl-2,4-dihydro-pyrazol-3-one
CID 5404921
CID 6372735
CID 6372735

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide (CID 27376566) is N-(3-fluoro-4-methylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide is Cc1ccc(NC(=O)c2ccc(=O)n(Cc3ccc(F)cc3)n2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide?
The InChIKey is JHKRBVZQWULVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3O2/c1-12-2-7-15(10-16(12)21)22-19(26)17-8-9-18(25)24(23-17)11-13-3-5-14(20)6-4-13/h2-10H,11H2,1H3,(H,22,26).
What are the key properties of N-(3-fluoro-4-methylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide?
N-(3-fluoro-4-methylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide has a molecular weight of 355.34 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 27376566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).