2-fluoro-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide

C12H10FN3O2 — CID 70518619

IUPAC2-fluoro-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
SMILESO=C(CF)Nc1ccc(-c2ccc(=O)[nH]n2)cc1
InChIInChI=1S/C12H10FN3O2/c13-7-12(18)14-9-3-1-8(2-4-9)10-5-6-11(17)16-15-10/h1-6H,7H2,(H,14,18)(H,16,17)
InChIKeyYVRHGWYEZDWJTJ-UHFFFAOYSA-N
MW247.23 g/mol
LogP1.34
Rot. Bonds3

About 2-fluoro-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide

2-fluoro-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide (PubChem CID 70518619) has the molecular formula C12H10FN3O2 and a molecular weight of 247.23 g/mol. Its IUPAC name is 2-fluoro-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-fluoro-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
PubChem CID70518619
Molecular FormulaC12H10FN3O2
Molecular Weight247.23 g/mol
Exact Mass247.08
IUPAC Name2-fluoro-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
SMILESO=C(CF)Nc1ccc(-c2ccc(=O)[nH]n2)cc1
InChIInChI=1S/C12H10FN3O2/c13-7-12(18)14-9-3-1-8(2-4-9)10-5-6-11(17)16-15-10/h1-6H,7H2,(H,14,18)(H,16,17)
InChIKeyYVRHGWYEZDWJTJ-UHFFFAOYSA-N
XLogP1.34
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
CID 70517834
3-methoxy-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]propanamide
CID 70515718
2-bromoethyl N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamate
CID 70522133
S-prop-2-ynyl N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamothioate
CID 88729986
3-chloropropyl N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamate
CID 70517249
2,2-dimethyl-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]cyclopropane-1-carboxamide
CID 70518829
1-chloro-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]cyclobutane-1-carboxamide
CID 70518361
1-chlorobutan-2-yl N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamate
CID 70517104
(4-chlorophenyl) N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamate
CID 70516403
cyclobutyl N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamate
CID 70516961
(4-cyanophenyl) N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamate
CID 70518559
2-(4-methylphenyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
CID 47086774

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide?
The IUPAC name of 2-fluoro-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide (CID 70518619) is 2-fluoro-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide.
What is the SMILES notation for 2-fluoro-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide?
The canonical SMILES for 2-fluoro-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide is O=C(CF)Nc1ccc(-c2ccc(=O)[nH]n2)cc1.
What is the InChIKey of 2-fluoro-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide?
The InChIKey is YVRHGWYEZDWJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O2/c13-7-12(18)14-9-3-1-8(2-4-9)10-5-6-11(17)16-15-10/h1-6H,7H2,(H,14,18)(H,16,17).
What are the key properties of 2-fluoro-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide?
2-fluoro-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide has a molecular weight of 247.23 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide is sourced from PubChem (CID 70518619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).