1-(3-chloro-4-methylphenyl)-6-oxo-N-(2,3,4-trifluorophenyl)-4,5-dihydropyridazine-3-carboxamide

C18H13ClF3N3O2 — CID 16591096

IUPAC1-(3-chloro-4-methylphenyl)-6-oxo-N-(2,3,4-trifluorophenyl)-4,5-dihydropyridazine-3-carboxamide
SMILESCc1ccc(N2N=C(C(=O)Nc3ccc(F)c(F)c3F)CCC2=O)cc1Cl
InChIInChI=1S/C18H13ClF3N3O2/c1-9-2-3-10(8-11(9)19)25-15(26)7-6-14(24-25)18(27)23-13-5-4-12(20)16(21)17(13)22/h2-5,8H,6-7H2,1H3,(H,23,27)
InChIKeyLEPDKAMVDLZYKC-UHFFFAOYSA-N
MW395.77 g/mol
LogP4.19
Rot. Bonds3

About 1-(3-chloro-4-methylphenyl)-6-oxo-N-(2,3,4-trifluorophenyl)-4,5-dihydropyridazine-3-carboxamide

1-(3-chloro-4-methylphenyl)-6-oxo-N-(2,3,4-trifluorophenyl)-4,5-dihydropyridazine-3-carboxamide (PubChem CID 16591096) has the molecular formula C18H13ClF3N3O2 and a molecular weight of 395.77 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-6-oxo-N-(2,3,4-trifluorophenyl)-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-6-oxo-N-(2,3,4-trifluorophenyl)-4,5-dihydropyridazine-3-carboxamide
PubChem CID16591096
Molecular FormulaC18H13ClF3N3O2
Molecular Weight395.77 g/mol
Exact Mass395.06
IUPAC Name1-(3-chloro-4-methylphenyl)-6-oxo-N-(2,3,4-trifluorophenyl)-4,5-dihydropyridazine-3-carboxamide
SMILESCc1ccc(N2N=C(C(=O)Nc3ccc(F)c(F)c3F)CCC2=O)cc1Cl
InChIInChI=1S/C18H13ClF3N3O2/c1-9-2-3-10(8-11(9)19)25-15(26)7-6-14(24-25)18(27)23-13-5-4-12(20)16(21)17(13)22/h2-5,8H,6-7H2,1H3,(H,23,27)
InChIKeyLEPDKAMVDLZYKC-UHFFFAOYSA-N
XLogP4.19
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.77
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(3-chloro-4-methylphenyl)-N-(1-methylpyrazol-4-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 32607122
N-(2,4-dichlorophenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 4268456
1-(3-chloro-4-methylphenyl)-N'-(furan-2-carbonyl)-6-oxo-4,5-dihydropyridazine-3-carbohydrazide
CID 17454351
1-(4-chlorophenyl)-N-(2,4-dimethoxyphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 5104472
1-(4-bromophenyl)-N-(2,4-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 4673811
1-(3-chloro-4-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 16591043
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(3-chloro-4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 16593661
N-(2-chlorophenyl)-6-oxo-1-(2,3,5,6-tetrafluorophenyl)-4,5-dihydropyridazine-3-carboxamide
CID 9411179
N-(3,4-dimethylphenyl)-1-(4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 942686
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-1-(3-chloro-4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 16600449
1-(3-chloro-4-methylphenyl)-N-(1-imidazol-1-ylpropan-2-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 47031142
N-(5-chloro-2-morpholin-4-ylphenyl)-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 30246165

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-6-oxo-N-(2,3,4-trifluorophenyl)-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-6-oxo-N-(2,3,4-trifluorophenyl)-4,5-dihydropyridazine-3-carboxamide (CID 16591096) is 1-(3-chloro-4-methylphenyl)-6-oxo-N-(2,3,4-trifluorophenyl)-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-6-oxo-N-(2,3,4-trifluorophenyl)-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-6-oxo-N-(2,3,4-trifluorophenyl)-4,5-dihydropyridazine-3-carboxamide is Cc1ccc(N2N=C(C(=O)Nc3ccc(F)c(F)c3F)CCC2=O)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-6-oxo-N-(2,3,4-trifluorophenyl)-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is LEPDKAMVDLZYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF3N3O2/c1-9-2-3-10(8-11(9)19)25-15(26)7-6-14(24-25)18(27)23-13-5-4-12(20)16(21)17(13)22/h2-5,8H,6-7H2,1H3,(H,23,27).
What are the key properties of 1-(3-chloro-4-methylphenyl)-6-oxo-N-(2,3,4-trifluorophenyl)-4,5-dihydropyridazine-3-carboxamide?
1-(3-chloro-4-methylphenyl)-6-oxo-N-(2,3,4-trifluorophenyl)-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 395.77 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-6-oxo-N-(2,3,4-trifluorophenyl)-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 16591096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).