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

C19H15F2N3O2 — CID 7593632

IUPACN-[3-(6-ethoxypyridazin-3-yl)phenyl]-2,6-difluorobenzamide
SMILESCCOc1ccc(-c2cccc(NC(=O)c3c(F)cccc3F)c2)nn1
InChIInChI=1S/C19H15F2N3O2/c1-2-26-17-10-9-16(23-24-17)12-5-3-6-13(11-12)22-19(25)18-14(20)7-4-8-15(18)21/h3-11H,2H2,1H3,(H,22,25)
InChIKeyGKVDAHIQHAXYDF-UHFFFAOYSA-N
MW355.34 g/mol
LogP4.07
Rot. Bonds5

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

N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2,6-difluorobenzamide (PubChem CID 7593632) 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]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[3-(6-ethoxypyridazin-3-yl)phenyl]-2,6-difluorobenzamide
PubChem CID7593632
Molecular FormulaC19H15F2N3O2
Molecular Weight355.34 g/mol
Exact Mass355.11
IUPAC NameN-[3-(6-ethoxypyridazin-3-yl)phenyl]-2,6-difluorobenzamide
SMILESCCOc1ccc(-c2cccc(NC(=O)c3c(F)cccc3F)c2)nn1
InChIInChI=1S/C19H15F2N3O2/c1-2-26-17-10-9-16(23-24-17)12-5-3-6-13(11-12)22-19(25)18-14(20)7-4-8-15(18)21/h3-11H,2H2,1H3,(H,22,25)
InChIKeyGKVDAHIQHAXYDF-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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Related Compounds

2-ethoxy-N-[3-(6-ethoxypyridazin-3-yl)phenyl]benzamide
CID 7593638
N-[3-(6-ethoxypyridazin-3-yl)phenyl]-3,5-bis(trifluoromethyl)benzamide
CID 30677618
N-[3-(6-ethoxypyridazin-3-yl)phenyl]-4-methoxybenzamide
CID 7422519
(2S)-N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2-phenylbutanamide
CID 8670486
N-[3-(6-ethoxypyridazin-3-yl)phenyl]-4-methyl-3-nitrobenzamide
CID 7593622
3,4-difluoro-N-[3-(6-methoxypyridazin-3-yl)phenyl]benzamide
CID 7593494
4-fluoro-N-[3-(6-methoxypyridazin-3-yl)phenyl]benzamide
CID 7422514
N-(3,4-diethoxyphenyl)-2,6-difluorobenzamide
CID 26212684
4-butoxy-N-[3-(6-methoxypyridazin-3-yl)phenyl]benzamide
CID 41089364
1-[4-(6-ethoxypyridazin-3-yl)phenyl]-3-phenylurea
CID 43991078
N-(3,4-difluorophenyl)-6-ethoxypyridazine-3-carboxamide
CID 90509652
N-[4-(difluoromethoxy)-3-ethoxyphenyl]-2,6-difluorobenzamide
CID 17021884

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2,6-difluorobenzamide?
The IUPAC name of N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2,6-difluorobenzamide (CID 7593632) is N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2,6-difluorobenzamide is CCOc1ccc(-c2cccc(NC(=O)c3c(F)cccc3F)c2)nn1.
What is the InChIKey of N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2,6-difluorobenzamide?
The InChIKey is GKVDAHIQHAXYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3O2/c1-2-26-17-10-9-16(23-24-17)12-5-3-6-13(11-12)22-19(25)18-14(20)7-4-8-15(18)21/h3-11H,2H2,1H3,(H,22,25).
What are the key properties of N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2,6-difluorobenzamide?
N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2,6-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]-2,6-difluorobenzamide is sourced from PubChem (CID 7593632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).