4-(4,5-dichloro-6-oxopyridazin-1-yl)-2,5-difluorobenzamide

C11H5Cl2F2N3O2 — CID 22235208

IUPAC4-(4,5-dichloro-6-oxopyridazin-1-yl)-2,5-difluorobenzamide
SMILESNC(=O)c1cc(F)c(-n2ncc(Cl)c(Cl)c2=O)cc1F
InChIInChI=1S/C11H5Cl2F2N3O2/c12-5-3-17-18(11(20)9(5)13)8-2-6(14)4(10(16)19)1-7(8)15/h1-3H,(H2,16,19)
InChIKeyPCMIMROGTWUKCA-UHFFFAOYSA-N
MW320.08 g/mol
LogP1.92
Rot. Bonds2

About 4-(4,5-dichloro-6-oxopyridazin-1-yl)-2,5-difluorobenzamide

4-(4,5-dichloro-6-oxopyridazin-1-yl)-2,5-difluorobenzamide (PubChem CID 22235208) has the molecular formula C11H5Cl2F2N3O2 and a molecular weight of 320.08 g/mol. Its IUPAC name is 4-(4,5-dichloro-6-oxopyridazin-1-yl)-2,5-difluorobenzamide.

Molecular Properties

Compound Name4-(4,5-dichloro-6-oxopyridazin-1-yl)-2,5-difluorobenzamide
PubChem CID22235208
Molecular FormulaC11H5Cl2F2N3O2
Molecular Weight320.08 g/mol
Exact Mass318.97
IUPAC Name4-(4,5-dichloro-6-oxopyridazin-1-yl)-2,5-difluorobenzamide
SMILESNC(=O)c1cc(F)c(-n2ncc(Cl)c(Cl)c2=O)cc1F
InChIInChI=1S/C11H5Cl2F2N3O2/c12-5-3-17-18(11(20)9(5)13)8-2-6(14)4(10(16)19)1-7(8)15/h1-3H,(H2,16,19)
InChIKeyPCMIMROGTWUKCA-UHFFFAOYSA-N
XLogP1.92
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.08
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-Dichloro-2-(4-(trifluoromethyl)phenyl)pyridazin-3(2H)-one
CID 2774036
N-[4-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]phenyl]propanamide
CID 2470212
N-[4-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]phenyl]acetamide
CID 2539129
4-(4,5-Dichloro-6-oxopyridazin-1-yl)benzoyl chloride
CID 18983164
4-[bis(2-chloroethyl)amino]-N-[(E)-(4-fluorophenyl)methylideneamino]benzamide
CID 9561829
4-Fluoro-2-methyl-5-(4-methyl-6-oxopyridazin-1-yl)benzamide
CID 68604559
2-Fluoro-5-(6-oxopyridazin-1-yl)benzamide
CID 68606828
2-Fluoro-4-(6-oxopyridazin-1-yl)benzamide
CID 69315364
4-(5-Chloro-4-fluoro-6-oxopyridazin-1(6H)-yl)benzoyl chloride
CID 71325139
3-(5-Chloro-4-fluoro-6-oxopyridazin-1-yl)benzoyl chloride
CID 88672400
4,5-Dichloro-2-[4-(fluoromethyl)phenyl]pyridazin-3-one
CID 126547347
4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2-piperidin-1-ylethyl)benzamide
CID 154721643

Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dichloro-6-oxopyridazin-1-yl)-2,5-difluorobenzamide?
The IUPAC name of 4-(4,5-dichloro-6-oxopyridazin-1-yl)-2,5-difluorobenzamide (CID 22235208) is 4-(4,5-dichloro-6-oxopyridazin-1-yl)-2,5-difluorobenzamide.
What is the SMILES notation for 4-(4,5-dichloro-6-oxopyridazin-1-yl)-2,5-difluorobenzamide?
The canonical SMILES for 4-(4,5-dichloro-6-oxopyridazin-1-yl)-2,5-difluorobenzamide is NC(=O)c1cc(F)c(-n2ncc(Cl)c(Cl)c2=O)cc1F.
What is the InChIKey of 4-(4,5-dichloro-6-oxopyridazin-1-yl)-2,5-difluorobenzamide?
The InChIKey is PCMIMROGTWUKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl2F2N3O2/c12-5-3-17-18(11(20)9(5)13)8-2-6(14)4(10(16)19)1-7(8)15/h1-3H,(H2,16,19).
What are the key properties of 4-(4,5-dichloro-6-oxopyridazin-1-yl)-2,5-difluorobenzamide?
4-(4,5-dichloro-6-oxopyridazin-1-yl)-2,5-difluorobenzamide has a molecular weight of 320.08 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dichloro-6-oxopyridazin-1-yl)-2,5-difluorobenzamide is sourced from PubChem (CID 22235208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).