N-[6-(3,4-difluoroanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide

C19H16F2N4O — CID 113051664

IUPACN-[6-(3,4-difluoroanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2ccc(Nc3ccc(F)c(F)c3)nn2)cc1
InChIInChI=1S/C19H16F2N4O/c1-12-2-4-13(5-3-12)10-19(26)23-18-9-8-17(24-25-18)22-14-6-7-15(20)16(21)11-14/h2-9,11H,10H2,1H3,(H,22,24)(H,23,25,26)
InChIKeyHZYHUDVJEXZBTO-UHFFFAOYSA-N
MW354.36 g/mol
LogP3.99
Rot. Bonds5

About N-[6-(3,4-difluoroanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide

N-[6-(3,4-difluoroanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide (PubChem CID 113051664) has the molecular formula C19H16F2N4O and a molecular weight of 354.36 g/mol. Its IUPAC name is N-[6-(3,4-difluoroanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[6-(3,4-difluoroanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide
PubChem CID113051664
Molecular FormulaC19H16F2N4O
Molecular Weight354.36 g/mol
Exact Mass354.13
IUPAC NameN-[6-(3,4-difluoroanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2ccc(Nc3ccc(F)c(F)c3)nn2)cc1
InChIInChI=1S/C19H16F2N4O/c1-12-2-4-13(5-3-12)10-19(26)23-18-9-8-17(24-25-18)22-14-6-7-15(20)16(21)11-14/h2-9,11H,10H2,1H3,(H,22,24)(H,23,25,26)
InChIKeyHZYHUDVJEXZBTO-UHFFFAOYSA-N
XLogP3.99
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(3-chloro-4-methoxyanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide
CID 113047933
methyl 4-[[6-[[2-(4-methylphenyl)acetyl]amino]pyridazin-3-yl]amino]benzoate
CID 113049499
N-[6-(4-acetamidoanilino)pyridazin-3-yl]-2-(4-fluorophenyl)acetamide
CID 113049292
N-[6-(4-chloroanilino)pyridazin-3-yl]-2-(3-methylphenyl)acetamide
CID 113047565
N-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide
CID 113047843
2-(4-chlorophenyl)-N-[4-[(6-methylpyridazin-3-yl)amino]phenyl]acetamide
CID 56919650
N-[6-(3-fluoroanilino)pyridazin-3-yl]-2-(3-methylphenyl)acetamide
CID 113049983
N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide
CID 113048581
2-(2-bromophenyl)-N-[6-(4-methylanilino)pyridazin-3-yl]acetamide
CID 113045862
N-[6-(2-bromoanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide
CID 113050061
N-(4-acetamidophenyl)-6-(3,4-difluoroanilino)pyridazine-3-carboxamide
CID 109129918
N-[6-[2-(2-fluorophenyl)ethylamino]pyridazin-3-yl]-2-(4-methylphenyl)acetamide
CID 113042536

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,4-difluoroanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide?
The IUPAC name of N-[6-(3,4-difluoroanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide (CID 113051664) is N-[6-(3,4-difluoroanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-[6-(3,4-difluoroanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-[6-(3,4-difluoroanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide is Cc1ccc(CC(=O)Nc2ccc(Nc3ccc(F)c(F)c3)nn2)cc1.
What is the InChIKey of N-[6-(3,4-difluoroanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide?
The InChIKey is HZYHUDVJEXZBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O/c1-12-2-4-13(5-3-12)10-19(26)23-18-9-8-17(24-25-18)22-14-6-7-15(20)16(21)11-14/h2-9,11H,10H2,1H3,(H,22,24)(H,23,25,26).
What are the key properties of N-[6-(3,4-difluoroanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide?
N-[6-(3,4-difluoroanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide has a molecular weight of 354.36 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,4-difluoroanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 113051664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).