N-[5-chloro-2-(4-methylphenoxy)phenyl]-6-oxo-1-phenylpyridazine-3-carboxamide

C24H18ClN3O3 — CID 52572154

IUPACN-[5-chloro-2-(4-methylphenoxy)phenyl]-6-oxo-1-phenylpyridazine-3-carboxamide
SMILESCc1ccc(Oc2ccc(Cl)cc2NC(=O)c2ccc(=O)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C24H18ClN3O3/c1-16-7-10-19(11-8-16)31-22-13-9-17(25)15-21(22)26-24(30)20-12-14-23(29)28(27-20)18-5-3-2-4-6-18/h2-15H,1H3,(H,26,30)
InChIKeyXZNKCJGWASWIMT-UHFFFAOYSA-N
MW431.88 g/mol
LogP5.24
Rot. Bonds5

About N-[5-chloro-2-(4-methylphenoxy)phenyl]-6-oxo-1-phenylpyridazine-3-carboxamide

N-[5-chloro-2-(4-methylphenoxy)phenyl]-6-oxo-1-phenylpyridazine-3-carboxamide (PubChem CID 52572154) has the molecular formula C24H18ClN3O3 and a molecular weight of 431.88 g/mol. Its IUPAC name is N-[5-chloro-2-(4-methylphenoxy)phenyl]-6-oxo-1-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-(4-methylphenoxy)phenyl]-6-oxo-1-phenylpyridazine-3-carboxamide
PubChem CID52572154
Molecular FormulaC24H18ClN3O3
Molecular Weight431.88 g/mol
Exact Mass431.10
IUPAC NameN-[5-chloro-2-(4-methylphenoxy)phenyl]-6-oxo-1-phenylpyridazine-3-carboxamide
SMILESCc1ccc(Oc2ccc(Cl)cc2NC(=O)c2ccc(=O)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C24H18ClN3O3/c1-16-7-10-19(11-8-16)31-22-13-9-17(25)15-21(22)26-24(30)20-12-14-23(29)28(27-20)18-5-3-2-4-6-18/h2-15H,1H3,(H,26,30)
InChIKeyXZNKCJGWASWIMT-UHFFFAOYSA-N
XLogP5.24
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.88
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-phenoxyphenyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 24676491
N-(5-chloro-2-phenoxyphenyl)-4-methylbenzamide
CID 956260
N-(5-chloro-2-phenoxyphenyl)-2,5-dimethylbenzamide
CID 100657509
N-(3-methylphenyl)-6-oxo-1-phenylpyridazine-3-carboxamide
CID 31853823
N-[5-chloro-2-(4-methylphenoxy)phenyl]furan-3-carboxamide
CID 34131638
N-(4-chloro-2-pyridinyl)-6-oxo-1-phenylpyridazine-3-carboxamide
CID 91642770
N-(5-methyl-1,2-oxazol-3-yl)-6-oxo-1-phenylpyridazine-3-carboxamide
CID 31979037
N-(5-chloro-2-phenoxyphenyl)benzamide
CID 956230
N-[5-chloro-2-(propan-2-ylcarbamoyl)phenyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide
CID 55807504
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55759004
N-[4-(2-methoxyethoxy)phenyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 55657959
N-[5-chloro-2-(4-methylphenoxy)phenyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 60551038

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(4-methylphenoxy)phenyl]-6-oxo-1-phenylpyridazine-3-carboxamide?
The IUPAC name of N-[5-chloro-2-(4-methylphenoxy)phenyl]-6-oxo-1-phenylpyridazine-3-carboxamide (CID 52572154) is N-[5-chloro-2-(4-methylphenoxy)phenyl]-6-oxo-1-phenylpyridazine-3-carboxamide.
What is the SMILES notation for N-[5-chloro-2-(4-methylphenoxy)phenyl]-6-oxo-1-phenylpyridazine-3-carboxamide?
The canonical SMILES for N-[5-chloro-2-(4-methylphenoxy)phenyl]-6-oxo-1-phenylpyridazine-3-carboxamide is Cc1ccc(Oc2ccc(Cl)cc2NC(=O)c2ccc(=O)n(-c3ccccc3)n2)cc1.
What is the InChIKey of N-[5-chloro-2-(4-methylphenoxy)phenyl]-6-oxo-1-phenylpyridazine-3-carboxamide?
The InChIKey is XZNKCJGWASWIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN3O3/c1-16-7-10-19(11-8-16)31-22-13-9-17(25)15-21(22)26-24(30)20-12-14-23(29)28(27-20)18-5-3-2-4-6-18/h2-15H,1H3,(H,26,30).
What are the key properties of N-[5-chloro-2-(4-methylphenoxy)phenyl]-6-oxo-1-phenylpyridazine-3-carboxamide?
N-[5-chloro-2-(4-methylphenoxy)phenyl]-6-oxo-1-phenylpyridazine-3-carboxamide has a molecular weight of 431.88 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(4-methylphenoxy)phenyl]-6-oxo-1-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 52572154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).