3-fluoro-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide

C17H12FN3O2 — CID 49035357

IUPAC3-fluoro-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2ccc(=O)[nH]n2)c1)c1cccc(F)c1
InChIInChI=1S/C17H12FN3O2/c18-13-5-1-4-12(9-13)17(23)19-14-6-2-3-11(10-14)15-7-8-16(22)21-20-15/h1-10H,(H,19,23)(H,21,22)
InChIKeyFIGGKBFBBKJHTH-UHFFFAOYSA-N
MW309.30 g/mol
LogP2.83
Rot. Bonds3

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

3-fluoro-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide (PubChem CID 49035357) has the molecular formula C17H12FN3O2 and a molecular weight of 309.30 g/mol. Its IUPAC name is 3-fluoro-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
PubChem CID49035357
Molecular FormulaC17H12FN3O2
Molecular Weight309.30 g/mol
Exact Mass309.09
IUPAC Name3-fluoro-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2ccc(=O)[nH]n2)c1)c1cccc(F)c1
InChIInChI=1S/C17H12FN3O2/c18-13-5-1-4-12(9-13)17(23)19-14-6-2-3-11(10-14)15-7-8-16(22)21-20-15/h1-10H,(H,19,23)(H,21,22)
InChIKeyFIGGKBFBBKJHTH-UHFFFAOYSA-N
XLogP2.83
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.30
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-difluoro-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
CID 49034784
N-[3-[[3-(6-oxo-1H-pyridazin-3-yl)benzoyl]amino]phenyl]pyrimidine-2-carboxamide
CID 167918564
4-bromo-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
CID 49035283
methyl 2-[3-[[3-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamoyl]phenoxy]acetate
CID 49033446
3-fluoro-N-(3-quinolin-2-ylphenyl)benzamide
CID 46376278
N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-1,3-benzoxazole-5-carboxamide
CID 108811725
3-methyl-4-nitro-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
CID 49035359
methyl N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamate
CID 108747797
2,5-dichloro-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
CID 49035341
N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-3-(thiophen-2-ylmethoxy)benzamide
CID 49033817
N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-4-phenylmethoxybenzamide
CID 49035148
N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-4-phenylthiophene-2-carboxamide
CID 49034810

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide?
The IUPAC name of 3-fluoro-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide (CID 49035357) is 3-fluoro-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide?
The canonical SMILES for 3-fluoro-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide is O=C(Nc1cccc(-c2ccc(=O)[nH]n2)c1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide?
The InChIKey is FIGGKBFBBKJHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3O2/c18-13-5-1-4-12(9-13)17(23)19-14-6-2-3-11(10-14)15-7-8-16(22)21-20-15/h1-10H,(H,19,23)(H,21,22).
What are the key properties of 3-fluoro-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide?
3-fluoro-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide has a molecular weight of 309.30 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide is sourced from PubChem (CID 49035357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).