N-(2-amino-5-fluorophenyl)-2-(6-oxopyridazin-1-yl)acetamide

C12H11FN4O2 — CID 55126633

IUPACN-(2-amino-5-fluorophenyl)-2-(6-oxopyridazin-1-yl)acetamide
SMILESNc1ccc(F)cc1NC(=O)Cn1ncccc1=O
InChIInChI=1S/C12H11FN4O2/c13-8-3-4-9(14)10(6-8)16-11(18)7-17-12(19)2-1-5-15-17/h1-6H,7,14H2,(H,16,18)
InChIKeySWZHDPFXXMDQMA-UHFFFAOYSA-N
MW262.24 g/mol
LogP0.60
Rot. Bonds3

About N-(2-amino-5-fluorophenyl)-2-(6-oxopyridazin-1-yl)acetamide

N-(2-amino-5-fluorophenyl)-2-(6-oxopyridazin-1-yl)acetamide (PubChem CID 55126633) has the molecular formula C12H11FN4O2 and a molecular weight of 262.24 g/mol. Its IUPAC name is N-(2-amino-5-fluorophenyl)-2-(6-oxopyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-amino-5-fluorophenyl)-2-(6-oxopyridazin-1-yl)acetamide
PubChem CID55126633
Molecular FormulaC12H11FN4O2
Molecular Weight262.24 g/mol
Exact Mass262.09
IUPAC NameN-(2-amino-5-fluorophenyl)-2-(6-oxopyridazin-1-yl)acetamide
SMILESNc1ccc(F)cc1NC(=O)Cn1ncccc1=O
InChIInChI=1S/C12H11FN4O2/c13-8-3-4-9(14)10(6-8)16-11(18)7-17-12(19)2-1-5-15-17/h1-6H,7,14H2,(H,16,18)
InChIKeySWZHDPFXXMDQMA-UHFFFAOYSA-N
XLogP0.60
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-4-chlorophenyl)-2-(6-oxopyridazin-1-yl)acetamide
CID 62850298
N-(2-amino-4-fluorophenyl)-4-(6-oxopyridazin-1-yl)butanamide
CID 62848889
N-(3-amino-2-methylphenyl)-2-(6-oxopyridazin-1-yl)acetamide
CID 62851005
N-(2-amino-5-fluorophenyl)-2-(3,5-diethylpyrazol-1-yl)acetamide
CID 82695813
N-(2-amino-6-methylphenyl)-2-(6-oxopyridazin-1-yl)acetamide
CID 62849766
N-(2-amino-5-fluorophenyl)-2-indol-1-ylacetamide
CID 43611958
2-amino-N-(2-amino-5-fluorophenyl)acetamide
CID 110477650
1-[2-(2-amino-5-fluoroanilino)-2-oxoethyl]pyrazole-4-carboxamide
CID 64780467
N-(2-amino-5-fluorophenyl)-2-pyrimidin-4-ylsulfanylacetamide
CID 63697445
N-(2-amino-5-fluorophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide
CID 43612136
N-(2-amino-4-chlorophenyl)-3-(6-oxopyridazin-1-yl)propanamide
CID 62850123
N-(2-amino-5-fluorophenyl)-2-(4-cyclopropylpiperazin-1-yl)acetamide
CID 61440078

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-fluorophenyl)-2-(6-oxopyridazin-1-yl)acetamide?
The IUPAC name of N-(2-amino-5-fluorophenyl)-2-(6-oxopyridazin-1-yl)acetamide (CID 55126633) is N-(2-amino-5-fluorophenyl)-2-(6-oxopyridazin-1-yl)acetamide.
What is the SMILES notation for N-(2-amino-5-fluorophenyl)-2-(6-oxopyridazin-1-yl)acetamide?
The canonical SMILES for N-(2-amino-5-fluorophenyl)-2-(6-oxopyridazin-1-yl)acetamide is Nc1ccc(F)cc1NC(=O)Cn1ncccc1=O.
What is the InChIKey of N-(2-amino-5-fluorophenyl)-2-(6-oxopyridazin-1-yl)acetamide?
The InChIKey is SWZHDPFXXMDQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4O2/c13-8-3-4-9(14)10(6-8)16-11(18)7-17-12(19)2-1-5-15-17/h1-6H,7,14H2,(H,16,18).
What are the key properties of N-(2-amino-5-fluorophenyl)-2-(6-oxopyridazin-1-yl)acetamide?
N-(2-amino-5-fluorophenyl)-2-(6-oxopyridazin-1-yl)acetamide has a molecular weight of 262.24 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-fluorophenyl)-2-(6-oxopyridazin-1-yl)acetamide is sourced from PubChem (CID 55126633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).