N-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide

C19H16ClFN4O2 — CID 113047843

IUPACN-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(Nc3ccc(F)c(Cl)c3)nn2)cc1
InChIInChI=1S/C19H16ClFN4O2/c1-12-2-5-14(6-3-12)27-11-19(26)23-18-9-8-17(24-25-18)22-13-4-7-16(21)15(20)10-13/h2-10H,11H2,1H3,(H,22,24)(H,23,25,26)
InChIKeyRHPXGGQOKVQRRD-UHFFFAOYSA-N
MW386.81 g/mol
LogP4.34
Rot. Bonds6

About N-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide

N-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide (PubChem CID 113047843) has the molecular formula C19H16ClFN4O2 and a molecular weight of 386.81 g/mol. Its IUPAC name is N-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide
PubChem CID113047843
Molecular FormulaC19H16ClFN4O2
Molecular Weight386.81 g/mol
Exact Mass386.09
IUPAC NameN-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(Nc3ccc(F)c(Cl)c3)nn2)cc1
InChIInChI=1S/C19H16ClFN4O2/c1-12-2-5-14(6-3-12)27-11-19(26)23-18-9-8-17(24-25-18)22-13-4-7-16(21)15(20)10-13/h2-10H,11H2,1H3,(H,22,24)(H,23,25,26)
InChIKeyRHPXGGQOKVQRRD-UHFFFAOYSA-N
XLogP4.34
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.81
LogP ≤ 54.34
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-(4-methylphenoxy)acetamide
CID 113048225
N-[6-(3-acetylanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide
CID 113049082
2-[4-[[6-(3-chloro-4-fluoroanilino)pyrimidin-4-yl]amino]phenoxy]-N-methylacetamide
CID 70186989
N-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-4-methoxybenzamide
CID 113047832
N-[6-(2,5-dimethylanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide
CID 113046299
N-(3-chloro-4-fluorophenyl)-2-phenoxyacetamide
CID 924892
N-[6-(3,4-difluoroanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide
CID 113051664
N-[6-(2,6-dimethylanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide
CID 113046517
2-[3-[(3-chloro-4-fluoroanilino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 66539538
N-(3-chloro-4-fluorophenyl)-2-(4-formylphenoxy)acetamide
CID 2215496
N-[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-2-(4-methylphenoxy)acetamide
CID 113029025

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide (CID 113047843) is N-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)Nc2ccc(Nc3ccc(F)c(Cl)c3)nn2)cc1.
What is the InChIKey of N-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide?
The InChIKey is RHPXGGQOKVQRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN4O2/c1-12-2-5-14(6-3-12)27-11-19(26)23-18-9-8-17(24-25-18)22-13-4-7-16(21)15(20)10-13/h2-10H,11H2,1H3,(H,22,24)(H,23,25,26).
What are the key properties of N-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide?
N-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide has a molecular weight of 386.81 g/mol, XLogP of 4.34, 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-fluoroanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 113047843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).