3,4-difluoro-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide

C17H11F2N3O2 — CID 49034784

IUPAC3,4-difluoro-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2ccc(=O)[nH]n2)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C17H11F2N3O2/c18-13-5-4-11(9-14(13)19)17(24)20-12-3-1-2-10(8-12)15-6-7-16(23)22-21-15/h1-9H,(H,20,24)(H,22,23)
InChIKeyPMXWQHRSSSBQHD-UHFFFAOYSA-N
MW327.29 g/mol
LogP2.97
Rot. Bonds3

About 3,4-difluoro-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide

3,4-difluoro-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide (PubChem CID 49034784) has the molecular formula C17H11F2N3O2 and a molecular weight of 327.29 g/mol. Its IUPAC name is 3,4-difluoro-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
PubChem CID49034784
Molecular FormulaC17H11F2N3O2
Molecular Weight327.29 g/mol
Exact Mass327.08
IUPAC Name3,4-difluoro-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2ccc(=O)[nH]n2)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C17H11F2N3O2/c18-13-5-4-11(9-14(13)19)17(24)20-12-3-1-2-10(8-12)15-6-7-16(23)22-21-15/h1-9H,(H,20,24)(H,22,23)
InChIKeyPMXWQHRSSSBQHD-UHFFFAOYSA-N
XLogP2.97
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.29
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
CID 49035357
4-bromo-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
CID 49035283
2,5-dichloro-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
CID 49035341
N-[3-[[3-(6-oxo-1H-pyridazin-3-yl)benzoyl]amino]phenyl]pyrimidine-2-carboxamide
CID 167918564
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
3,4-difluoro-N-[3-(6-methoxypyridazin-3-yl)phenyl]benzamide
CID 7593494
4-(4-methylpyrazol-1-yl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
CID 49033681
methyl 2-[3-[[3-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamoyl]phenoxy]acetate
CID 49033446
N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-4-phenylmethoxybenzamide
CID 49035148
methyl N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamate
CID 108747797
ethyl [4-[[3-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamoyl]phenyl] carbonate
CID 108769827

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide (CID 49034784) is 3,4-difluoro-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide is O=C(Nc1cccc(-c2ccc(=O)[nH]n2)c1)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide?
The InChIKey is PMXWQHRSSSBQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2N3O2/c18-13-5-4-11(9-14(13)19)17(24)20-12-3-1-2-10(8-12)15-6-7-16(23)22-21-15/h1-9H,(H,20,24)(H,22,23).
What are the key properties of 3,4-difluoro-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide?
3,4-difluoro-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide has a molecular weight of 327.29 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide is sourced from PubChem (CID 49034784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).