N-(2-chlorophenyl)-6-oxo-1-(2,3,5,6-tetrafluorophenyl)-4,5-dihydropyridazine-3-carboxamide

C17H10ClF4N3O2 — CID 9411179

IUPACN-(2-chlorophenyl)-6-oxo-1-(2,3,5,6-tetrafluorophenyl)-4,5-dihydropyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1Cl)C1=NN(c2c(F)c(F)cc(F)c2F)C(=O)CC1
InChIInChI=1S/C17H10ClF4N3O2/c18-8-3-1-2-4-11(8)23-17(27)12-5-6-13(26)25(24-12)16-14(21)9(19)7-10(20)15(16)22/h1-4,7H,5-6H2,(H,23,27)
InChIKeyIVOOQFCARUMOGB-UHFFFAOYSA-N
MW399.73 g/mol
LogP4.02
Rot. Bonds3

About N-(2-chlorophenyl)-6-oxo-1-(2,3,5,6-tetrafluorophenyl)-4,5-dihydropyridazine-3-carboxamide

N-(2-chlorophenyl)-6-oxo-1-(2,3,5,6-tetrafluorophenyl)-4,5-dihydropyridazine-3-carboxamide (PubChem CID 9411179) has the molecular formula C17H10ClF4N3O2 and a molecular weight of 399.73 g/mol. Its IUPAC name is N-(2-chlorophenyl)-6-oxo-1-(2,3,5,6-tetrafluorophenyl)-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-6-oxo-1-(2,3,5,6-tetrafluorophenyl)-4,5-dihydropyridazine-3-carboxamide
PubChem CID9411179
Molecular FormulaC17H10ClF4N3O2
Molecular Weight399.73 g/mol
Exact Mass399.04
IUPAC NameN-(2-chlorophenyl)-6-oxo-1-(2,3,5,6-tetrafluorophenyl)-4,5-dihydropyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1Cl)C1=NN(c2c(F)c(F)cc(F)c2F)C(=O)CC1
InChIInChI=1S/C17H10ClF4N3O2/c18-8-3-1-2-4-11(8)23-17(27)12-5-6-13(26)25(24-12)16-14(21)9(19)7-10(20)15(16)22/h1-4,7H,5-6H2,(H,23,27)
InChIKeyIVOOQFCARUMOGB-UHFFFAOYSA-N
XLogP4.02
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.73
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-6-oxo-1-(2,3,5,6-tetrafluorophenyl)-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-6-oxo-1-(2,3,5,6-tetrafluorophenyl)-4,5-dihydropyridazine-3-carboxamide (CID 9411179) is N-(2-chlorophenyl)-6-oxo-1-(2,3,5,6-tetrafluorophenyl)-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-6-oxo-1-(2,3,5,6-tetrafluorophenyl)-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-6-oxo-1-(2,3,5,6-tetrafluorophenyl)-4,5-dihydropyridazine-3-carboxamide is O=C(Nc1ccccc1Cl)C1=NN(c2c(F)c(F)cc(F)c2F)C(=O)CC1.
What is the InChIKey of N-(2-chlorophenyl)-6-oxo-1-(2,3,5,6-tetrafluorophenyl)-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is IVOOQFCARUMOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF4N3O2/c18-8-3-1-2-4-11(8)23-17(27)12-5-6-13(26)25(24-12)16-14(21)9(19)7-10(20)15(16)22/h1-4,7H,5-6H2,(H,23,27).
What are the key properties of N-(2-chlorophenyl)-6-oxo-1-(2,3,5,6-tetrafluorophenyl)-4,5-dihydropyridazine-3-carboxamide?
N-(2-chlorophenyl)-6-oxo-1-(2,3,5,6-tetrafluorophenyl)-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 399.73 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-6-oxo-1-(2,3,5,6-tetrafluorophenyl)-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 9411179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).