N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2,4-difluorobenzamide

C19H15F2N3O2 — CID 7593643

IUPACN-[3-(6-ethoxypyridazin-3-yl)phenyl]-2,4-difluorobenzamide
SMILESCCOc1ccc(-c2cccc(NC(=O)c3ccc(F)cc3F)c2)nn1
InChIInChI=1S/C19H15F2N3O2/c1-2-26-18-9-8-17(23-24-18)12-4-3-5-14(10-12)22-19(25)15-7-6-13(20)11-16(15)21/h3-11H,2H2,1H3,(H,22,25)
InChIKeyLOOOLMBDBPKMPK-UHFFFAOYSA-N
MW355.34 g/mol
LogP4.07
Rot. Bonds5

About N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2,4-difluorobenzamide

N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2,4-difluorobenzamide (PubChem CID 7593643) has the molecular formula C19H15F2N3O2 and a molecular weight of 355.34 g/mol. Its IUPAC name is N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[3-(6-ethoxypyridazin-3-yl)phenyl]-2,4-difluorobenzamide
PubChem CID7593643
Molecular FormulaC19H15F2N3O2
Molecular Weight355.34 g/mol
Exact Mass355.11
IUPAC NameN-[3-(6-ethoxypyridazin-3-yl)phenyl]-2,4-difluorobenzamide
SMILESCCOc1ccc(-c2cccc(NC(=O)c3ccc(F)cc3F)c2)nn1
InChIInChI=1S/C19H15F2N3O2/c1-2-26-18-9-8-17(23-24-18)12-4-3-5-14(10-12)22-19(25)15-7-6-13(20)11-16(15)21/h3-11H,2H2,1H3,(H,22,25)
InChIKeyLOOOLMBDBPKMPK-UHFFFAOYSA-N
XLogP4.07
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.34
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2,4-difluorobenzamide?
The IUPAC name of N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2,4-difluorobenzamide (CID 7593643) is N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2,4-difluorobenzamide?
The canonical SMILES for N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2,4-difluorobenzamide is CCOc1ccc(-c2cccc(NC(=O)c3ccc(F)cc3F)c2)nn1.
What is the InChIKey of N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2,4-difluorobenzamide?
The InChIKey is LOOOLMBDBPKMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3O2/c1-2-26-18-9-8-17(23-24-18)12-4-3-5-14(10-12)22-19(25)15-7-6-13(20)11-16(15)21/h3-11H,2H2,1H3,(H,22,25).
What are the key properties of N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2,4-difluorobenzamide?
N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2,4-difluorobenzamide has a molecular weight of 355.34 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2,4-difluorobenzamide is sourced from PubChem (CID 7593643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).