N-[5-[1-[2-(2,4-difluoroanilino)-2-oxoethyl]-6-oxopyridazin-3-yl]-2-methylphenyl]propanamide

C22H20F2N4O3 — CID 25249906

IUPACN-[5-[1-[2-(2,4-difluoroanilino)-2-oxoethyl]-6-oxopyridazin-3-yl]-2-methylphenyl]propanamide
SMILESCCC(=O)Nc1cc(-c2ccc(=O)n(CC(=O)Nc3ccc(F)cc3F)n2)ccc1C
InChIInChI=1S/C22H20F2N4O3/c1-3-20(29)26-19-10-14(5-4-13(19)2)17-8-9-22(31)28(27-17)12-21(30)25-18-7-6-15(23)11-16(18)24/h4-11H,3,12H2,1-2H3,(H,25,30)(H,26,29)
InChIKeyJRQRJKPLCVAKHN-UHFFFAOYSA-N
MW426.42 g/mol
LogP3.48
Rot. Bonds6

About N-[5-[1-[2-(2,4-difluoroanilino)-2-oxoethyl]-6-oxopyridazin-3-yl]-2-methylphenyl]propanamide

N-[5-[1-[2-(2,4-difluoroanilino)-2-oxoethyl]-6-oxopyridazin-3-yl]-2-methylphenyl]propanamide (PubChem CID 25249906) has the molecular formula C22H20F2N4O3 and a molecular weight of 426.42 g/mol. Its IUPAC name is N-[5-[1-[2-(2,4-difluoroanilino)-2-oxoethyl]-6-oxopyridazin-3-yl]-2-methylphenyl]propanamide.

Molecular Properties

Compound NameN-[5-[1-[2-(2,4-difluoroanilino)-2-oxoethyl]-6-oxopyridazin-3-yl]-2-methylphenyl]propanamide
PubChem CID25249906
Molecular FormulaC22H20F2N4O3
Molecular Weight426.42 g/mol
Exact Mass426.15
IUPAC NameN-[5-[1-[2-(2,4-difluoroanilino)-2-oxoethyl]-6-oxopyridazin-3-yl]-2-methylphenyl]propanamide
SMILESCCC(=O)Nc1cc(-c2ccc(=O)n(CC(=O)Nc3ccc(F)cc3F)n2)ccc1C
InChIInChI=1S/C22H20F2N4O3/c1-3-20(29)26-19-10-14(5-4-13(19)2)17-8-9-22(31)28(27-17)12-21(30)25-18-7-6-15(23)11-16(18)24/h4-11H,3,12H2,1-2H3,(H,25,30)(H,26,29)
InChIKeyJRQRJKPLCVAKHN-UHFFFAOYSA-N
XLogP3.48
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.42
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[1-[2-(4-fluoroanilino)-2-oxoethyl]-6-oxopyridazin-3-yl]-2-methylphenyl]propanamide
CID 27518001
N-[2-methyl-5-[6-oxo-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyridazin-3-yl]phenyl]propanamide
CID 27260731
N-[5-[1-[2-(2-chloro-6-methylanilino)-2-oxoethyl]-6-oxopyridazin-3-yl]-2-methylphenyl]propanamide
CID 27261976
N-(2,5-difluorophenyl)-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 46858972
N-(4-bromo-2-fluorophenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 50925836
2-[3-(3-acetamido-4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 27262241
N-(4-bromo-2-fluorophenyl)-2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]acetamide
CID 46923283
2-[3-(3-acetamido-4-methylphenyl)-6-oxopyridazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 25249869
N-(2-fluorophenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7662431
2-[3-(3-acetamido-4-ethylphenyl)-6-oxopyridazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 27261551
2-[3-(3-acetamido-4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 27266322
N-(4-bromo-2-methylphenyl)-2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 46923359

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[2-(2,4-difluoroanilino)-2-oxoethyl]-6-oxopyridazin-3-yl]-2-methylphenyl]propanamide?
The IUPAC name of N-[5-[1-[2-(2,4-difluoroanilino)-2-oxoethyl]-6-oxopyridazin-3-yl]-2-methylphenyl]propanamide (CID 25249906) is N-[5-[1-[2-(2,4-difluoroanilino)-2-oxoethyl]-6-oxopyridazin-3-yl]-2-methylphenyl]propanamide.
What is the SMILES notation for N-[5-[1-[2-(2,4-difluoroanilino)-2-oxoethyl]-6-oxopyridazin-3-yl]-2-methylphenyl]propanamide?
The canonical SMILES for N-[5-[1-[2-(2,4-difluoroanilino)-2-oxoethyl]-6-oxopyridazin-3-yl]-2-methylphenyl]propanamide is CCC(=O)Nc1cc(-c2ccc(=O)n(CC(=O)Nc3ccc(F)cc3F)n2)ccc1C.
What is the InChIKey of N-[5-[1-[2-(2,4-difluoroanilino)-2-oxoethyl]-6-oxopyridazin-3-yl]-2-methylphenyl]propanamide?
The InChIKey is JRQRJKPLCVAKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N4O3/c1-3-20(29)26-19-10-14(5-4-13(19)2)17-8-9-22(31)28(27-17)12-21(30)25-18-7-6-15(23)11-16(18)24/h4-11H,3,12H2,1-2H3,(H,25,30)(H,26,29).
What are the key properties of N-[5-[1-[2-(2,4-difluoroanilino)-2-oxoethyl]-6-oxopyridazin-3-yl]-2-methylphenyl]propanamide?
N-[5-[1-[2-(2,4-difluoroanilino)-2-oxoethyl]-6-oxopyridazin-3-yl]-2-methylphenyl]propanamide has a molecular weight of 426.42 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-[2-(2,4-difluoroanilino)-2-oxoethyl]-6-oxopyridazin-3-yl]-2-methylphenyl]propanamide is sourced from PubChem (CID 25249906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).