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

C17H14ClN3O2 — CID 756093

IUPACN-(3-chlorophenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)C1=NN(c2ccccc2)C(=O)CC1
InChIInChI=1S/C17H14ClN3O2/c18-12-5-4-6-13(11-12)19-17(23)15-9-10-16(22)21(20-15)14-7-2-1-3-8-14/h1-8,11H,9-10H2,(H,19,23)
InChIKeyZNGBPSGKTOOYIX-UHFFFAOYSA-N
MW327.77 g/mol
LogP3.46
Rot. Bonds3

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

N-(3-chlorophenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide (PubChem CID 756093) has the molecular formula C17H14ClN3O2 and a molecular weight of 327.77 g/mol. Its IUPAC name is N-(3-chlorophenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
PubChem CID756093
Molecular FormulaC17H14ClN3O2
Molecular Weight327.77 g/mol
Exact Mass327.08
IUPAC NameN-(3-chlorophenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)C1=NN(c2ccccc2)C(=O)CC1
InChIInChI=1S/C17H14ClN3O2/c18-12-5-4-6-13(11-12)19-17(23)15-9-10-16(22)21(20-15)14-7-2-1-3-8-14/h1-8,11H,9-10H2,(H,19,23)
InChIKeyZNGBPSGKTOOYIX-UHFFFAOYSA-N
XLogP3.46
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide (CID 756093) is N-(3-chlorophenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide is O=C(Nc1cccc(Cl)c1)C1=NN(c2ccccc2)C(=O)CC1.
What is the InChIKey of N-(3-chlorophenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is ZNGBPSGKTOOYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2/c18-12-5-4-6-13(11-12)19-17(23)15-9-10-16(22)21(20-15)14-7-2-1-3-8-14/h1-8,11H,9-10H2,(H,19,23).
What are the key properties of N-(3-chlorophenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
N-(3-chlorophenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 327.77 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 756093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).