N-(5-chloro-3-oxo-2-phenylpyridazin-4-yl)acetamide

C12H10ClN3O2 — CID 540571

IUPACN-(5-chloro-3-oxo-2-phenylpyridazin-4-yl)acetamide
SMILESCC(=O)Nc1c(Cl)cnn(-c2ccccc2)c1=O
InChIInChI=1S/C12H10ClN3O2/c1-8(17)15-11-10(13)7-14-16(12(11)18)9-5-3-2-4-6-9/h2-7H,1H3,(H,15,17)
InChIKeyJCCDBBJZECACTH-UHFFFAOYSA-N
MW263.68 g/mol
LogP1.84
Rot. Bonds2

About N-(5-chloro-3-oxo-2-phenylpyridazin-4-yl)acetamide

N-(5-chloro-3-oxo-2-phenylpyridazin-4-yl)acetamide (PubChem CID 540571) has the molecular formula C12H10ClN3O2 and a molecular weight of 263.68 g/mol. Its IUPAC name is N-(5-chloro-3-oxo-2-phenylpyridazin-4-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-3-oxo-2-phenylpyridazin-4-yl)acetamide
PubChem CID540571
Molecular FormulaC12H10ClN3O2
Molecular Weight263.68 g/mol
Exact Mass263.05
IUPAC NameN-(5-chloro-3-oxo-2-phenylpyridazin-4-yl)acetamide
SMILESCC(=O)Nc1c(Cl)cnn(-c2ccccc2)c1=O
InChIInChI=1S/C12H10ClN3O2/c1-8(17)15-11-10(13)7-14-16(12(11)18)9-5-3-2-4-6-9/h2-7H,1H3,(H,15,17)
InChIKeyJCCDBBJZECACTH-UHFFFAOYSA-N
XLogP1.84
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-3-oxo-2-phenylpyridazin-4-yl)acetamide?
The IUPAC name of N-(5-chloro-3-oxo-2-phenylpyridazin-4-yl)acetamide (CID 540571) is N-(5-chloro-3-oxo-2-phenylpyridazin-4-yl)acetamide.
What is the SMILES notation for N-(5-chloro-3-oxo-2-phenylpyridazin-4-yl)acetamide?
The canonical SMILES for N-(5-chloro-3-oxo-2-phenylpyridazin-4-yl)acetamide is CC(=O)Nc1c(Cl)cnn(-c2ccccc2)c1=O.
What is the InChIKey of N-(5-chloro-3-oxo-2-phenylpyridazin-4-yl)acetamide?
The InChIKey is JCCDBBJZECACTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O2/c1-8(17)15-11-10(13)7-14-16(12(11)18)9-5-3-2-4-6-9/h2-7H,1H3,(H,15,17).
What are the key properties of N-(5-chloro-3-oxo-2-phenylpyridazin-4-yl)acetamide?
N-(5-chloro-3-oxo-2-phenylpyridazin-4-yl)acetamide has a molecular weight of 263.68 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-3-oxo-2-phenylpyridazin-4-yl)acetamide is sourced from PubChem (CID 540571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).