3-chloro-N-[(2,4-dichlorophenyl)methyl]pyridazine-4-carboxamide

C12H8Cl3N3O — CID 22992257

IUPAC3-chloro-N-[(2,4-dichlorophenyl)methyl]pyridazine-4-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)c1ccnnc1Cl
InChIInChI=1S/C12H8Cl3N3O/c13-8-2-1-7(10(14)5-8)6-16-12(19)9-3-4-17-18-11(9)15/h1-5H,6H2,(H,16,19)
InChIKeyOYTGIFKWZVQFFA-UHFFFAOYSA-N
MW316.58 g/mol
LogP3.37
Rot. Bonds3

About 3-chloro-N-[(2,4-dichlorophenyl)methyl]pyridazine-4-carboxamide

3-chloro-N-[(2,4-dichlorophenyl)methyl]pyridazine-4-carboxamide (PubChem CID 22992257) has the molecular formula C12H8Cl3N3O and a molecular weight of 316.58 g/mol. Its IUPAC name is 3-chloro-N-[(2,4-dichlorophenyl)methyl]pyridazine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[(2,4-dichlorophenyl)methyl]pyridazine-4-carboxamide
PubChem CID22992257
Molecular FormulaC12H8Cl3N3O
Molecular Weight316.58 g/mol
Exact Mass314.97
IUPAC Name3-chloro-N-[(2,4-dichlorophenyl)methyl]pyridazine-4-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)c1ccnnc1Cl
InChIInChI=1S/C12H8Cl3N3O/c13-8-2-1-7(10(14)5-8)6-16-12(19)9-3-4-17-18-11(9)15/h1-5H,6H2,(H,16,19)
InChIKeyOYTGIFKWZVQFFA-UHFFFAOYSA-N
XLogP3.37
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.58
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]-2,4,5-trimethylbenzamide
CID 100708024
N-[(2,4-dichlorophenyl)methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 9403592
N-[(2,4-dichlorophenyl)methyl]-2,4-dimethylbenzamide
CID 2446682
N-[(2,4-dichlorophenyl)methyl]carbamoyl bromide
CID 115193657
2-[(2,4-dichlorophenyl)methylcarbamoyl]cyclohexene-1-carboxylic acid
CID 134117071
N-[(2,4-dichlorophenyl)methyl]-8-hydroxyquinoline-7-carboxamide;methane
CID 159727206
5-chloro-N-[(2,4-dichlorophenyl)methyl]pyrazine-2-carboxamide
CID 71655570
N-[(2,4-dichlorophenyl)methyl]-2-iodoacetamide
CID 70030657
2-chloro-N-[(2,4-dichlorophenyl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 631511
N-[(2,4-dichlorophenyl)methyl]-2-methoxy-5-methylbenzamide
CID 9268844
N-[(2,4-dichlorophenyl)methyl]-2,3,4-trimethoxybenzamide
CID 55329564
N-[(2,4-dichlorophenyl)methyl]-2-(methanesulfonamido)benzamide
CID 31321210

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2,4-dichlorophenyl)methyl]pyridazine-4-carboxamide?
The IUPAC name of 3-chloro-N-[(2,4-dichlorophenyl)methyl]pyridazine-4-carboxamide (CID 22992257) is 3-chloro-N-[(2,4-dichlorophenyl)methyl]pyridazine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-[(2,4-dichlorophenyl)methyl]pyridazine-4-carboxamide?
The canonical SMILES for 3-chloro-N-[(2,4-dichlorophenyl)methyl]pyridazine-4-carboxamide is O=C(NCc1ccc(Cl)cc1Cl)c1ccnnc1Cl.
What is the InChIKey of 3-chloro-N-[(2,4-dichlorophenyl)methyl]pyridazine-4-carboxamide?
The InChIKey is OYTGIFKWZVQFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl3N3O/c13-8-2-1-7(10(14)5-8)6-16-12(19)9-3-4-17-18-11(9)15/h1-5H,6H2,(H,16,19).
What are the key properties of 3-chloro-N-[(2,4-dichlorophenyl)methyl]pyridazine-4-carboxamide?
3-chloro-N-[(2,4-dichlorophenyl)methyl]pyridazine-4-carboxamide has a molecular weight of 316.58 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2,4-dichlorophenyl)methyl]pyridazine-4-carboxamide is sourced from PubChem (CID 22992257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).