N-(2,4-difluorophenyl)-2-[3-(2,4-dimethylphenyl)-6-oxopyridazin-1-yl]acetamide

C20H17F2N3O2 — CID 7665971

IUPACN-(2,4-difluorophenyl)-2-[3-(2,4-dimethylphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(F)cc3F)n2)c(C)c1
InChIInChI=1S/C20H17F2N3O2/c1-12-3-5-15(13(2)9-12)17-7-8-20(27)25(24-17)11-19(26)23-18-6-4-14(21)10-16(18)22/h3-10H,11H2,1-2H3,(H,23,26)
InChIKeyHKCCTMRAUJZGFL-UHFFFAOYSA-N
MW369.37 g/mol
LogP3.44
Rot. Bonds4

About N-(2,4-difluorophenyl)-2-[3-(2,4-dimethylphenyl)-6-oxopyridazin-1-yl]acetamide

N-(2,4-difluorophenyl)-2-[3-(2,4-dimethylphenyl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 7665971) has the molecular formula C20H17F2N3O2 and a molecular weight of 369.37 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-[3-(2,4-dimethylphenyl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-[3-(2,4-dimethylphenyl)-6-oxopyridazin-1-yl]acetamide
PubChem CID7665971
Molecular FormulaC20H17F2N3O2
Molecular Weight369.37 g/mol
Exact Mass369.13
IUPAC NameN-(2,4-difluorophenyl)-2-[3-(2,4-dimethylphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(F)cc3F)n2)c(C)c1
InChIInChI=1S/C20H17F2N3O2/c1-12-3-5-15(13(2)9-12)17-7-8-20(27)25(24-17)11-19(26)23-18-6-4-14(21)10-16(18)22/h3-10H,11H2,1-2H3,(H,23,26)
InChIKeyHKCCTMRAUJZGFL-UHFFFAOYSA-N
XLogP3.44
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 709340
N-(4-fluorobenzyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1(6H)-yl]acetamide
CID 4582595
3-benzyl-N-methyl-4-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]phthalazine-1-carboxamide
CID 4784122
N-(2,4-dimethylphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 648380
2-(4-Methyl-1-oxo-1H-phthalazin-2-yl)-N-o-tolyl-acetamide
CID 745849
N-(4-fluorophenyl)-4-(3-methyl-4-oxophthalazin-1-yl)benzamide
CID 1999173
2-{2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}-6-(4-methylphenyl)pyridazin-3(2H)-one
CID 3245318
N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2-(4-fluoroanilino)acetamide
CID 9646485
2-(1-Oxo-4-phenyl-1,2,5,6,7,8-hexahydrophthalazin-2-YL)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 16014481
2-[4-(2,5-Dimethylphenyl)-1-oxo-1,2,5,6,7,8-hexahydrophthalazin-2-YL]-N-(2-ethylphenyl)acetamide
CID 16014540
2-[3-(2,5-Dimethylphenyl)-6-oxo-1,6-dihydropyridazin-1-YL]-N-(3-ethylphenyl)acetamide
CID 16014570
2-[3-(3,4-Dimethylphenyl)-6-oxo-1,6-dihydropyridazin-1-YL]-N-(2-ethylphenyl)propanamide
CID 16014948

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-[3-(2,4-dimethylphenyl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-[3-(2,4-dimethylphenyl)-6-oxopyridazin-1-yl]acetamide (CID 7665971) is N-(2,4-difluorophenyl)-2-[3-(2,4-dimethylphenyl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-[3-(2,4-dimethylphenyl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-[3-(2,4-dimethylphenyl)-6-oxopyridazin-1-yl]acetamide is Cc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(F)cc3F)n2)c(C)c1.
What is the InChIKey of N-(2,4-difluorophenyl)-2-[3-(2,4-dimethylphenyl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is HKCCTMRAUJZGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O2/c1-12-3-5-15(13(2)9-12)17-7-8-20(27)25(24-17)11-19(26)23-18-6-4-14(21)10-16(18)22/h3-10H,11H2,1-2H3,(H,23,26).
What are the key properties of N-(2,4-difluorophenyl)-2-[3-(2,4-dimethylphenyl)-6-oxopyridazin-1-yl]acetamide?
N-(2,4-difluorophenyl)-2-[3-(2,4-dimethylphenyl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 369.37 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-[3-(2,4-dimethylphenyl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 7665971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).