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

C13H12ClN3O — CID 14280296

IUPACN-[3-(6-chloropyridazin-3-yl)phenyl]propanamide
SMILESCCC(=O)Nc1cccc(-c2ccc(Cl)nn2)c1
InChIInChI=1S/C13H12ClN3O/c1-2-13(18)15-10-5-3-4-9(8-10)11-6-7-12(14)17-16-11/h3-8H,2H2,1H3,(H,15,18)
InChIKeySLZHHAVXSGGVSD-UHFFFAOYSA-N
MW261.71 g/mol
LogP3.15
Rot. Bonds3

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

N-[3-(6-chloropyridazin-3-yl)phenyl]propanamide (PubChem CID 14280296) 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]propanamide.

Molecular Properties

Compound NameN-[3-(6-chloropyridazin-3-yl)phenyl]propanamide
PubChem CID14280296
Molecular FormulaC13H12ClN3O
Molecular Weight261.71 g/mol
Exact Mass261.07
IUPAC NameN-[3-(6-chloropyridazin-3-yl)phenyl]propanamide
SMILESCCC(=O)Nc1cccc(-c2ccc(Cl)nn2)c1
InChIInChI=1S/C13H12ClN3O/c1-2-13(18)15-10-5-3-4-9(8-10)11-6-7-12(14)17-16-11/h3-8H,2H2,1H3,(H,15,18)
InChIKeySLZHHAVXSGGVSD-UHFFFAOYSA-N
XLogP3.15
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(6-chloropyridazin-3-yl)phenyl]propanamide?
The IUPAC name of N-[3-(6-chloropyridazin-3-yl)phenyl]propanamide (CID 14280296) is N-[3-(6-chloropyridazin-3-yl)phenyl]propanamide.
What is the SMILES notation for N-[3-(6-chloropyridazin-3-yl)phenyl]propanamide?
The canonical SMILES for N-[3-(6-chloropyridazin-3-yl)phenyl]propanamide is CCC(=O)Nc1cccc(-c2ccc(Cl)nn2)c1.
What is the InChIKey of N-[3-(6-chloropyridazin-3-yl)phenyl]propanamide?
The InChIKey is SLZHHAVXSGGVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O/c1-2-13(18)15-10-5-3-4-9(8-10)11-6-7-12(14)17-16-11/h3-8H,2H2,1H3,(H,15,18).
What are the key properties of N-[3-(6-chloropyridazin-3-yl)phenyl]propanamide?
N-[3-(6-chloropyridazin-3-yl)phenyl]propanamide has a molecular weight of 261.71 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-chloropyridazin-3-yl)phenyl]propanamide is sourced from PubChem (CID 14280296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).