N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]-2-phenoxyacetamide

C19H17ClN4O2 — CID 113047782

IUPACN-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]-2-phenoxyacetamide
SMILESCc1ccc(Nc2ccc(NC(=O)COc3ccccc3)nn2)cc1Cl
InChIInChI=1S/C19H17ClN4O2/c1-13-7-8-14(11-16(13)20)21-17-9-10-18(24-23-17)22-19(25)12-26-15-5-3-2-4-6-15/h2-11H,12H2,1H3,(H,21,23)(H,22,24,25)
InChIKeyDGXMSVGACKDTOY-UHFFFAOYSA-N
MW368.82 g/mol
LogP4.20
Rot. Bonds6

About N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]-2-phenoxyacetamide

N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]-2-phenoxyacetamide (PubChem CID 113047782) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]-2-phenoxyacetamide
PubChem CID113047782
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC NameN-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]-2-phenoxyacetamide
SMILESCc1ccc(Nc2ccc(NC(=O)COc3ccccc3)nn2)cc1Cl
InChIInChI=1S/C19H17ClN4O2/c1-13-7-8-14(11-16(13)20)21-17-9-10-18(24-23-17)22-19(25)12-26-15-5-3-2-4-6-15/h2-11H,12H2,1H3,(H,21,23)(H,22,24,25)
InChIKeyDGXMSVGACKDTOY-UHFFFAOYSA-N
XLogP4.20
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(3-methoxyanilino)pyridazin-3-yl]-2-phenoxyacetamide
CID 113048215
N-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide
CID 113047843
N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]-2-(2-methoxyphenoxy)acetamide
CID 113018928
N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]butanamide
CID 113047760
N-[6-(2-chloroanilino)pyridazin-3-yl]-2-phenoxyacetamide
CID 113047377
N-[6-(3,4-dimethylanilino)-3-pyridinyl]-2-phenoxyacetamide
CID 113016981
N-[5-(3,4-dimethylanilino)-2-pyridinyl]-2-phenoxyacetamide
CID 113032117
N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]-2-phenoxyacetamide
CID 113050313
N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]pentanamide
CID 113047763
3-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]benzoic acid
CID 8707298
N-[6-(3-methoxyanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide
CID 113048225
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 3-phenoxypropanoate
CID 7841565

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]-2-phenoxyacetamide?
The IUPAC name of N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]-2-phenoxyacetamide (CID 113047782) is N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]-2-phenoxyacetamide.
What is the SMILES notation for N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]-2-phenoxyacetamide?
The canonical SMILES for N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]-2-phenoxyacetamide is Cc1ccc(Nc2ccc(NC(=O)COc3ccccc3)nn2)cc1Cl.
What is the InChIKey of N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]-2-phenoxyacetamide?
The InChIKey is DGXMSVGACKDTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c1-13-7-8-14(11-16(13)20)21-17-9-10-18(24-23-17)22-19(25)12-26-15-5-3-2-4-6-15/h2-11H,12H2,1H3,(H,21,23)(H,22,24,25).
What are the key properties of N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]-2-phenoxyacetamide?
N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]-2-phenoxyacetamide has a molecular weight of 368.82 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]-2-phenoxyacetamide is sourced from PubChem (CID 113047782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).