N-[6-(2-chloroanilino)pyridazin-3-yl]-2-phenoxyacetamide

C18H15ClN4O2 — CID 113047377

IUPACN-[6-(2-chloroanilino)pyridazin-3-yl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1ccc(Nc2ccccc2Cl)nn1
InChIInChI=1S/C18H15ClN4O2/c19-14-8-4-5-9-15(14)20-16-10-11-17(23-22-16)21-18(24)12-25-13-6-2-1-3-7-13/h1-11H,12H2,(H,20,22)(H,21,23,24)
InChIKeyOTLHNLPIHRRJRJ-UHFFFAOYSA-N
MW354.80 g/mol
LogP3.89
Rot. Bonds6

About N-[6-(2-chloroanilino)pyridazin-3-yl]-2-phenoxyacetamide

N-[6-(2-chloroanilino)pyridazin-3-yl]-2-phenoxyacetamide (PubChem CID 113047377) has the molecular formula C18H15ClN4O2 and a molecular weight of 354.80 g/mol. Its IUPAC name is N-[6-(2-chloroanilino)pyridazin-3-yl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[6-(2-chloroanilino)pyridazin-3-yl]-2-phenoxyacetamide
PubChem CID113047377
Molecular FormulaC18H15ClN4O2
Molecular Weight354.80 g/mol
Exact Mass354.09
IUPAC NameN-[6-(2-chloroanilino)pyridazin-3-yl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1ccc(Nc2ccccc2Cl)nn1
InChIInChI=1S/C18H15ClN4O2/c19-14-8-4-5-9-15(14)20-16-10-11-17(23-22-16)21-18(24)12-25-13-6-2-1-3-7-13/h1-11H,12H2,(H,20,22)(H,21,23,24)
InChIKeyOTLHNLPIHRRJRJ-UHFFFAOYSA-N
XLogP3.89
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.80
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]-2-phenoxyacetamide
CID 113047782
N-[6-(3-methoxyanilino)pyridazin-3-yl]-2-phenoxyacetamide
CID 113048215
N-[6-(2-chloroanilino)pyridazin-3-yl]-2-ethylbutanamide
CID 113047354
2-(4-carbamothioylphenoxy)-N-(2-chlorophenyl)acetamide
CID 28547111
N-[6-(3-chloro-2-methylanilino)pyridazin-3-yl]-2-phenylacetamide
CID 113047624
2-phenoxy-N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]acetamide
CID 113041994
N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]-2-phenoxyacetamide
CID 113050313
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-phenoxyacetamide
CID 26593129
N-(2-anilinophenyl)-2-phenoxyacetamide
CID 23903366
2-(4-methylphenoxy)-N-[6-(quinolin-8-ylamino)pyridazin-3-yl]acetamide
CID 113050394
N-[6-(dipropylamino)pyridazin-3-yl]-2-phenoxyacetamide
CID 113045161
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenoxyacetamide
CID 754569

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-chloroanilino)pyridazin-3-yl]-2-phenoxyacetamide?
The IUPAC name of N-[6-(2-chloroanilino)pyridazin-3-yl]-2-phenoxyacetamide (CID 113047377) is N-[6-(2-chloroanilino)pyridazin-3-yl]-2-phenoxyacetamide.
What is the SMILES notation for N-[6-(2-chloroanilino)pyridazin-3-yl]-2-phenoxyacetamide?
The canonical SMILES for N-[6-(2-chloroanilino)pyridazin-3-yl]-2-phenoxyacetamide is O=C(COc1ccccc1)Nc1ccc(Nc2ccccc2Cl)nn1.
What is the InChIKey of N-[6-(2-chloroanilino)pyridazin-3-yl]-2-phenoxyacetamide?
The InChIKey is OTLHNLPIHRRJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O2/c19-14-8-4-5-9-15(14)20-16-10-11-17(23-22-16)21-18(24)12-25-13-6-2-1-3-7-13/h1-11H,12H2,(H,20,22)(H,21,23,24).
What are the key properties of N-[6-(2-chloroanilino)pyridazin-3-yl]-2-phenoxyacetamide?
N-[6-(2-chloroanilino)pyridazin-3-yl]-2-phenoxyacetamide has a molecular weight of 354.80 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-chloroanilino)pyridazin-3-yl]-2-phenoxyacetamide is sourced from PubChem (CID 113047377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).