4,5-dichloro-N-(6-chloropyridazin-4-yl)-2-fluorobenzamide

C11H5Cl3FN3O — CID 154982231

IUPAC4,5-dichloro-N-(6-chloropyridazin-4-yl)-2-fluorobenzamide
SMILESO=C(Nc1cnnc(Cl)c1)c1cc(Cl)c(Cl)cc1F
InChIInChI=1S/C11H5Cl3FN3O/c12-7-2-6(9(15)3-8(7)13)11(19)17-5-1-10(14)18-16-4-5/h1-4H,(H,17,18,19)
InChIKeyHZWLOFOUPMTYGW-UHFFFAOYSA-N
MW320.54 g/mol
LogP3.83
Rot. Bonds2

About 4,5-dichloro-N-(6-chloropyridazin-4-yl)-2-fluorobenzamide

4,5-dichloro-N-(6-chloropyridazin-4-yl)-2-fluorobenzamide (PubChem CID 154982231) has the molecular formula C11H5Cl3FN3O and a molecular weight of 320.54 g/mol. Its IUPAC name is 4,5-dichloro-N-(6-chloropyridazin-4-yl)-2-fluorobenzamide.

Molecular Properties

Compound Name4,5-dichloro-N-(6-chloropyridazin-4-yl)-2-fluorobenzamide
PubChem CID154982231
Molecular FormulaC11H5Cl3FN3O
Molecular Weight320.54 g/mol
Exact Mass318.95
IUPAC Name4,5-dichloro-N-(6-chloropyridazin-4-yl)-2-fluorobenzamide
SMILESO=C(Nc1cnnc(Cl)c1)c1cc(Cl)c(Cl)cc1F
InChIInChI=1S/C11H5Cl3FN3O/c12-7-2-6(9(15)3-8(7)13)11(19)17-5-1-10(14)18-16-4-5/h1-4H,(H,17,18,19)
InChIKeyHZWLOFOUPMTYGW-UHFFFAOYSA-N
XLogP3.83
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.54
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3,4-dichloro-N-(6-chloro-3-pyridinyl)benzamide
CID 9882832
4-chloro-N-(1-ethylpyrazol-4-yl)-2-fluorobenzamide
CID 51078622
2-(3-chlorophenyl)-N-(5-methylpyridazin-4-yl)acetamide
CID 154862921
2-(3,4-dichlorophenyl)-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]benzamide
CID 168303471
2-(3,4-dichlorophenyl)-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4-fluorobenzamide
CID 68767710
2-(3,4-dichlorophenyl)-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-fluorobenzamide
CID 68771305
5-chloro-N-(6-chloropyridazin-4-yl)-2-[(4-fluoro-2-methylphenyl)methyl]-4-(trifluoromethyl)benzamide
CID 154982236
N-(6-chloropyridazin-4-yl)-2-fluoro-4-(trifluoromethyl)benzamide
CID 154982262
N-(6-chloropyridazin-4-yl)-2-fluoro-5-(trifluoromethyl)benzamide
CID 156904630
N-(6-chloropyridazin-4-yl)-2-fluoro-4-(1,1,2,2,2-pentafluoroethyl)benzamide
CID 156904631
2-(2-chloro-3-fluorophenyl)-N-(6-chloropyridazin-4-yl)acetamide
CID 162428170
2-(2-chloro-4-fluorophenyl)-N-(6-chloropyridazin-4-yl)acetamide
CID 162428281

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-(6-chloropyridazin-4-yl)-2-fluorobenzamide?
The IUPAC name of 4,5-dichloro-N-(6-chloropyridazin-4-yl)-2-fluorobenzamide (CID 154982231) is 4,5-dichloro-N-(6-chloropyridazin-4-yl)-2-fluorobenzamide.
What is the SMILES notation for 4,5-dichloro-N-(6-chloropyridazin-4-yl)-2-fluorobenzamide?
The canonical SMILES for 4,5-dichloro-N-(6-chloropyridazin-4-yl)-2-fluorobenzamide is O=C(Nc1cnnc(Cl)c1)c1cc(Cl)c(Cl)cc1F.
What is the InChIKey of 4,5-dichloro-N-(6-chloropyridazin-4-yl)-2-fluorobenzamide?
The InChIKey is HZWLOFOUPMTYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl3FN3O/c12-7-2-6(9(15)3-8(7)13)11(19)17-5-1-10(14)18-16-4-5/h1-4H,(H,17,18,19).
What are the key properties of 4,5-dichloro-N-(6-chloropyridazin-4-yl)-2-fluorobenzamide?
4,5-dichloro-N-(6-chloropyridazin-4-yl)-2-fluorobenzamide has a molecular weight of 320.54 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-(6-chloropyridazin-4-yl)-2-fluorobenzamide is sourced from PubChem (CID 154982231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).