N-[3-(6-chloropyridazin-3-yl)phenyl]-N-methylacetamide

C13H12ClN3O — CID 15595702

IUPACN-[3-(6-chloropyridazin-3-yl)phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1cccc(-c2ccc(Cl)nn2)c1
InChIInChI=1S/C13H12ClN3O/c1-9(18)17(2)11-5-3-4-10(8-11)12-6-7-13(14)16-15-12/h3-8H,1-2H3
InChIKeyRHDWXSSHQJCQQY-UHFFFAOYSA-N
MW261.71 g/mol
LogP2.78
Rot. Bonds2

About N-[3-(6-chloropyridazin-3-yl)phenyl]-N-methylacetamide

N-[3-(6-chloropyridazin-3-yl)phenyl]-N-methylacetamide (PubChem CID 15595702) has the molecular formula C13H12ClN3O and a molecular weight of 261.71 g/mol. Its IUPAC name is N-[3-(6-chloropyridazin-3-yl)phenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[3-(6-chloropyridazin-3-yl)phenyl]-N-methylacetamide
PubChem CID15595702
Molecular FormulaC13H12ClN3O
Molecular Weight261.71 g/mol
Exact Mass261.07
IUPAC NameN-[3-(6-chloropyridazin-3-yl)phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1cccc(-c2ccc(Cl)nn2)c1
InChIInChI=1S/C13H12ClN3O/c1-9(18)17(2)11-5-3-4-10(8-11)12-6-7-13(14)16-15-12/h3-8H,1-2H3
InChIKeyRHDWXSSHQJCQQY-UHFFFAOYSA-N
XLogP2.78
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(6-chloropyridazin-3-yl)phenyl]-N-methylacetamide?
The IUPAC name of N-[3-(6-chloropyridazin-3-yl)phenyl]-N-methylacetamide (CID 15595702) is N-[3-(6-chloropyridazin-3-yl)phenyl]-N-methylacetamide.
What is the SMILES notation for N-[3-(6-chloropyridazin-3-yl)phenyl]-N-methylacetamide?
The canonical SMILES for N-[3-(6-chloropyridazin-3-yl)phenyl]-N-methylacetamide is CC(=O)N(C)c1cccc(-c2ccc(Cl)nn2)c1.
What is the InChIKey of N-[3-(6-chloropyridazin-3-yl)phenyl]-N-methylacetamide?
The InChIKey is RHDWXSSHQJCQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O/c1-9(18)17(2)11-5-3-4-10(8-11)12-6-7-13(14)16-15-12/h3-8H,1-2H3.
What are the key properties of N-[3-(6-chloropyridazin-3-yl)phenyl]-N-methylacetamide?
N-[3-(6-chloropyridazin-3-yl)phenyl]-N-methylacetamide has a molecular weight of 261.71 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-chloropyridazin-3-yl)phenyl]-N-methylacetamide is sourced from PubChem (CID 15595702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).