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

C23H17F2N3O2 — CID 121052173

IUPACN-[(2,4-difluorophenyl)methyl]-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide
SMILESO=C(Cn1nc(-c2cccc3ccccc23)ccc1=O)NCc1ccc(F)cc1F
InChIInChI=1S/C23H17F2N3O2/c24-17-9-8-16(20(25)12-17)13-26-22(29)14-28-23(30)11-10-21(27-28)19-7-3-5-15-4-1-2-6-18(15)19/h1-12H,13-14H2,(H,26,29)
InChIKeyNEVGGOLLMIHWRB-UHFFFAOYSA-N
MW405.40 g/mol
LogP3.66
Rot. Bonds5

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

N-[(2,4-difluorophenyl)methyl]-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide (PubChem CID 121052173) has the molecular formula C23H17F2N3O2 and a molecular weight of 405.40 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide
PubChem CID121052173
Molecular FormulaC23H17F2N3O2
Molecular Weight405.40 g/mol
Exact Mass405.13
IUPAC NameN-[(2,4-difluorophenyl)methyl]-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide
SMILESO=C(Cn1nc(-c2cccc3ccccc23)ccc1=O)NCc1ccc(F)cc1F
InChIInChI=1S/C23H17F2N3O2/c24-17-9-8-16(20(25)12-17)13-26-22(29)14-28-23(30)11-10-21(27-28)19-7-3-5-15-4-1-2-6-18(15)19/h1-12H,13-14H2,(H,26,29)
InChIKeyNEVGGOLLMIHWRB-UHFFFAOYSA-N
XLogP3.66
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.40
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluorophenyl)-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide
CID 7664874
N-[(3-methoxyphenyl)methyl]-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide
CID 7664920
2-[[2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetyl]amino]-2-phenylacetic acid
CID 53371090
N-[(2,6-difluorophenyl)methyl]-2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetamide
CID 121051414
methyl (2S)-3-methyl-2-[[2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetyl]amino]butanoate
CID 91640855
2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide
CID 121052126
2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]acetamide
CID 122280800
2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide
CID 3224521
4-acetamido-N-[2-[[2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetyl]amino]ethyl]benzamide
CID 121052131
N-[(5-bromo-2-fluorophenyl)methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 55829227
N-(4-cyanophenyl)-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide
CID 121052176
2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[(3-fluorophenyl)methyl]acetamide
CID 51054627

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide (CID 121052173) is N-[(2,4-difluorophenyl)methyl]-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide is O=C(Cn1nc(-c2cccc3ccccc23)ccc1=O)NCc1ccc(F)cc1F.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide?
The InChIKey is NEVGGOLLMIHWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N3O2/c24-17-9-8-16(20(25)12-17)13-26-22(29)14-28-23(30)11-10-21(27-28)19-7-3-5-15-4-1-2-6-18(15)19/h1-12H,13-14H2,(H,26,29).
What are the key properties of N-[(2,4-difluorophenyl)methyl]-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide?
N-[(2,4-difluorophenyl)methyl]-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide has a molecular weight of 405.40 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide is sourced from PubChem (CID 121052173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).