N-(5-chloro-2-methylphenyl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide

C24H18ClN3O2 — CID 108790914

IUPACN-(5-chloro-2-methylphenyl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1c(-c2ccccc2)c(-c2ccccc2)n[nH]c1=O
InChIInChI=1S/C24H18ClN3O2/c1-15-12-13-18(25)14-19(15)26-23(29)21-20(16-8-4-2-5-9-16)22(27-28-24(21)30)17-10-6-3-7-11-17/h2-14H,1H3,(H,26,29)(H,28,30)
InChIKeyUKRAVLIAHMMLRV-UHFFFAOYSA-N
MW415.88 g/mol
LogP5.32
Rot. Bonds4

About N-(5-chloro-2-methylphenyl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide

N-(5-chloro-2-methylphenyl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide (PubChem CID 108790914) has the molecular formula C24H18ClN3O2 and a molecular weight of 415.88 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
PubChem CID108790914
Molecular FormulaC24H18ClN3O2
Molecular Weight415.88 g/mol
Exact Mass415.11
IUPAC NameN-(5-chloro-2-methylphenyl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1c(-c2ccccc2)c(-c2ccccc2)n[nH]c1=O
InChIInChI=1S/C24H18ClN3O2/c1-15-12-13-18(25)14-19(15)26-23(29)21-20(16-8-4-2-5-9-16)22(27-28-24(21)30)17-10-6-3-7-11-17/h2-14H,1H3,(H,26,29)(H,28,30)
InChIKeyUKRAVLIAHMMLRV-UHFFFAOYSA-N
XLogP5.32
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.88
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 108790883
N-(6-chloro-1,3-benzothiazol-2-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 108739115
6-oxo-3,4-diphenyl-N-(4-propan-2-ylphenyl)-1H-pyridazine-5-carboxamide
CID 108790884
N-(5-chloro-2-methylphenyl)-3-phenylcinnoline-4-carboxamide
CID 46288093
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 6871078
N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 108803588
N-[(E)-(4-chlorophenyl)methylideneamino]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 6871077
N-(5-chloro-2-methylphenyl)-2-phenylbenzamide
CID 976295
2-methyl-2-[(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)amino]propanoic acid
CID 108803564
N-(5-chloro-2-methylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 100771839
N-[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 108744733
N-(5-chloro-2-methylphenyl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 43854702

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide (CID 108790914) is N-(5-chloro-2-methylphenyl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide is Cc1ccc(Cl)cc1NC(=O)c1c(-c2ccccc2)c(-c2ccccc2)n[nH]c1=O.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide?
The InChIKey is UKRAVLIAHMMLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN3O2/c1-15-12-13-18(25)14-19(15)26-23(29)21-20(16-8-4-2-5-9-16)22(27-28-24(21)30)17-10-6-3-7-11-17/h2-14H,1H3,(H,26,29)(H,28,30).
What are the key properties of N-(5-chloro-2-methylphenyl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide?
N-(5-chloro-2-methylphenyl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide has a molecular weight of 415.88 g/mol, XLogP of 5.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide is sourced from PubChem (CID 108790914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).