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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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).