4-bromo-N-(6-chloropyridazin-3-yl)-2,6-difluorobenzamide

C11H5BrClF2N3O — CID 115686692

IUPAC4-bromo-N-(6-chloropyridazin-3-yl)-2,6-difluorobenzamide
SMILESO=C(Nc1ccc(Cl)nn1)c1c(F)cc(Br)cc1F
InChIInChI=1S/C11H5BrClF2N3O/c12-5-3-6(14)10(7(15)4-5)11(19)16-9-2-1-8(13)17-18-9/h1-4H,(H,16,18,19)
InChIKeyUINSMBCTCLRUEV-UHFFFAOYSA-N
MW348.53 g/mol
LogP3.42
Rot. Bonds2

About 4-bromo-N-(6-chloropyridazin-3-yl)-2,6-difluorobenzamide

4-bromo-N-(6-chloropyridazin-3-yl)-2,6-difluorobenzamide (PubChem CID 115686692) has the molecular formula C11H5BrClF2N3O and a molecular weight of 348.53 g/mol. Its IUPAC name is 4-bromo-N-(6-chloropyridazin-3-yl)-2,6-difluorobenzamide.

Molecular Properties

Compound Name4-bromo-N-(6-chloropyridazin-3-yl)-2,6-difluorobenzamide
PubChem CID115686692
Molecular FormulaC11H5BrClF2N3O
Molecular Weight348.53 g/mol
Exact Mass346.93
IUPAC Name4-bromo-N-(6-chloropyridazin-3-yl)-2,6-difluorobenzamide
SMILESO=C(Nc1ccc(Cl)nn1)c1c(F)cc(Br)cc1F
InChIInChI=1S/C11H5BrClF2N3O/c12-5-3-6(14)10(7(15)4-5)11(19)16-9-2-1-8(13)17-18-9/h1-4H,(H,16,18,19)
InChIKeyUINSMBCTCLRUEV-UHFFFAOYSA-N
XLogP3.42
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.53
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-chloropyridazin-3-yl)-2,4,6-trifluorobenzamide
CID 113241160
N-(6-chloropyridazin-3-yl)-2,6-difluoro-3-methylbenzamide
CID 115871247
3-chloro-N-(6-chloropyridazin-3-yl)-4-fluorobenzamide
CID 115737291
4-bromo-N-(6-chloropyridazin-3-yl)-2-methylbenzamide
CID 115624460
3,5-dichloro-N-(6-chloropyridazin-3-yl)benzamide
CID 113230922
4-bromo-N-(2-bromo-5-chlorophenyl)-2,6-difluorobenzamide
CID 81271266
N-(6-chloropyridazin-3-yl)-3-fluoro-5-methylbenzamide
CID 115666665
2-bromo-N-(6-chloropyridazin-3-yl)-5-(trifluoromethyl)benzamide
CID 115744112
5-chloro-N-(6-chloropyridazin-3-yl)-2-iodobenzamide
CID 113235172
4-bromo-N-(6-chloropyridazin-3-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 115666662
N-(6-chloropyridazin-3-yl)benzamide
CID 13125576
5-chloro-N-(6-chloropyridazin-3-yl)furan-2-carboxamide
CID 115608607

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(6-chloropyridazin-3-yl)-2,6-difluorobenzamide?
The IUPAC name of 4-bromo-N-(6-chloropyridazin-3-yl)-2,6-difluorobenzamide (CID 115686692) is 4-bromo-N-(6-chloropyridazin-3-yl)-2,6-difluorobenzamide.
What is the SMILES notation for 4-bromo-N-(6-chloropyridazin-3-yl)-2,6-difluorobenzamide?
The canonical SMILES for 4-bromo-N-(6-chloropyridazin-3-yl)-2,6-difluorobenzamide is O=C(Nc1ccc(Cl)nn1)c1c(F)cc(Br)cc1F.
What is the InChIKey of 4-bromo-N-(6-chloropyridazin-3-yl)-2,6-difluorobenzamide?
The InChIKey is UINSMBCTCLRUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrClF2N3O/c12-5-3-6(14)10(7(15)4-5)11(19)16-9-2-1-8(13)17-18-9/h1-4H,(H,16,18,19).
What are the key properties of 4-bromo-N-(6-chloropyridazin-3-yl)-2,6-difluorobenzamide?
4-bromo-N-(6-chloropyridazin-3-yl)-2,6-difluorobenzamide has a molecular weight of 348.53 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(6-chloropyridazin-3-yl)-2,6-difluorobenzamide is sourced from PubChem (CID 115686692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).