N-[1-[2-(difluoromethoxy)phenyl]propyl]-2-(4-oxocinnolin-1-yl)acetamide

C20H19F2N3O3 — CID 55656292

IUPACN-[1-[2-(difluoromethoxy)phenyl]propyl]-2-(4-oxocinnolin-1-yl)acetamide
SMILESCCC(NC(=O)Cn1ncc(=O)c2ccccc21)c1ccccc1OC(F)F
InChIInChI=1S/C20H19F2N3O3/c1-2-15(13-7-4-6-10-18(13)28-20(21)22)24-19(27)12-25-16-9-5-3-8-14(16)17(26)11-23-25/h3-11,15,20H,2,12H2,1H3,(H,24,27)
InChIKeyGYMYCJXACPUGLZ-UHFFFAOYSA-N
MW387.39 g/mol
LogP3.27
Rot. Bonds7

About N-[1-[2-(difluoromethoxy)phenyl]propyl]-2-(4-oxocinnolin-1-yl)acetamide

N-[1-[2-(difluoromethoxy)phenyl]propyl]-2-(4-oxocinnolin-1-yl)acetamide (PubChem CID 55656292) has the molecular formula C20H19F2N3O3 and a molecular weight of 387.39 g/mol. Its IUPAC name is N-[1-[2-(difluoromethoxy)phenyl]propyl]-2-(4-oxocinnolin-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-[2-(difluoromethoxy)phenyl]propyl]-2-(4-oxocinnolin-1-yl)acetamide
PubChem CID55656292
Molecular FormulaC20H19F2N3O3
Molecular Weight387.39 g/mol
Exact Mass387.14
IUPAC NameN-[1-[2-(difluoromethoxy)phenyl]propyl]-2-(4-oxocinnolin-1-yl)acetamide
SMILESCCC(NC(=O)Cn1ncc(=O)c2ccccc21)c1ccccc1OC(F)F
InChIInChI=1S/C20H19F2N3O3/c1-2-15(13-7-4-6-10-18(13)28-20(21)22)24-19(27)12-25-16-9-5-3-8-14(16)17(26)11-23-25/h3-11,15,20H,2,12H2,1H3,(H,24,27)
InChIKeyGYMYCJXACPUGLZ-UHFFFAOYSA-N
XLogP3.27
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-bromophenyl)propyl]-2-(4-oxocinnolin-1-yl)acetamide
CID 55414888
N-[1-[2-(difluoromethoxy)phenyl]propyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
CID 55656108
N-[(1R)-1-[2-(difluoromethoxy)phenyl]propyl]-2-(2-oxoazepan-1-yl)acetamide
CID 34696990
N-heptan-2-yl-2-(4-oxocinnolin-1-yl)acetamide
CID 78672212
N-[1-[2-(difluoromethoxy)phenyl]propyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 55672960
N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-2-phenoxyacetamide
CID 34703779
N-[1-[2-(difluoromethoxy)phenyl]propyl]-2-(3-nitropyrazol-1-yl)acetamide
CID 55849911
N-[1-[2-(difluoromethoxy)phenyl]propyl]-1-hydroxy-6-oxopyridine-2-carboxamide
CID 119037362
2-(3-bromophenoxy)-N'-[2-(4-oxocinnolin-1-yl)acetyl]propanehydrazide
CID 55428094
N-[1-[2-(difluoromethoxy)phenyl]propyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 55656206
N-[1-[2-(difluoromethoxy)phenyl]propyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 55656277
N-[1-[2-(difluoromethoxy)phenyl]propyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55656295

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(difluoromethoxy)phenyl]propyl]-2-(4-oxocinnolin-1-yl)acetamide?
The IUPAC name of N-[1-[2-(difluoromethoxy)phenyl]propyl]-2-(4-oxocinnolin-1-yl)acetamide (CID 55656292) is N-[1-[2-(difluoromethoxy)phenyl]propyl]-2-(4-oxocinnolin-1-yl)acetamide.
What is the SMILES notation for N-[1-[2-(difluoromethoxy)phenyl]propyl]-2-(4-oxocinnolin-1-yl)acetamide?
The canonical SMILES for N-[1-[2-(difluoromethoxy)phenyl]propyl]-2-(4-oxocinnolin-1-yl)acetamide is CCC(NC(=O)Cn1ncc(=O)c2ccccc21)c1ccccc1OC(F)F.
What is the InChIKey of N-[1-[2-(difluoromethoxy)phenyl]propyl]-2-(4-oxocinnolin-1-yl)acetamide?
The InChIKey is GYMYCJXACPUGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O3/c1-2-15(13-7-4-6-10-18(13)28-20(21)22)24-19(27)12-25-16-9-5-3-8-14(16)17(26)11-23-25/h3-11,15,20H,2,12H2,1H3,(H,24,27).
What are the key properties of N-[1-[2-(difluoromethoxy)phenyl]propyl]-2-(4-oxocinnolin-1-yl)acetamide?
N-[1-[2-(difluoromethoxy)phenyl]propyl]-2-(4-oxocinnolin-1-yl)acetamide has a molecular weight of 387.39 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(difluoromethoxy)phenyl]propyl]-2-(4-oxocinnolin-1-yl)acetamide is sourced from PubChem (CID 55656292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).