2-ethoxy-N-[3-(6-ethoxypyridazin-3-yl)phenyl]benzamide

C21H21N3O3 — CID 7593638

IUPAC2-ethoxy-N-[3-(6-ethoxypyridazin-3-yl)phenyl]benzamide
SMILESCCOc1ccc(-c2cccc(NC(=O)c3ccccc3OCC)c2)nn1
InChIInChI=1S/C21H21N3O3/c1-3-26-19-11-6-5-10-17(19)21(25)22-16-9-7-8-15(14-16)18-12-13-20(24-23-18)27-4-2/h5-14H,3-4H2,1-2H3,(H,22,25)
InChIKeyGRFUTFXAEOTREU-UHFFFAOYSA-N
MW363.42 g/mol
LogP4.19
Rot. Bonds7

About 2-ethoxy-N-[3-(6-ethoxypyridazin-3-yl)phenyl]benzamide

2-ethoxy-N-[3-(6-ethoxypyridazin-3-yl)phenyl]benzamide (PubChem CID 7593638) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-ethoxy-N-[3-(6-ethoxypyridazin-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[3-(6-ethoxypyridazin-3-yl)phenyl]benzamide
PubChem CID7593638
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name2-ethoxy-N-[3-(6-ethoxypyridazin-3-yl)phenyl]benzamide
SMILESCCOc1ccc(-c2cccc(NC(=O)c3ccccc3OCC)c2)nn1
InChIInChI=1S/C21H21N3O3/c1-3-26-19-11-6-5-10-17(19)21(25)22-16-9-7-8-15(14-16)18-12-13-20(24-23-18)27-4-2/h5-14H,3-4H2,1-2H3,(H,22,25)
InChIKeyGRFUTFXAEOTREU-UHFFFAOYSA-N
XLogP4.19
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2,6-difluorobenzamide
CID 7593632
2-ethoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
CID 7422477
N-[3-(6-ethoxypyridazin-3-yl)phenyl]-4-methoxybenzamide
CID 7422519
N-[3-(6-ethoxypyridazin-3-yl)phenyl]-3,5-bis(trifluoromethyl)benzamide
CID 30677618
(2S)-N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2-phenylbutanamide
CID 8670486
N-[4-(6-ethoxypyridazin-3-yl)phenyl]-2,3-dimethoxybenzamide
CID 7593665
N-(3-carbamoylphenyl)-2-ethoxybenzamide
CID 25049798
2-ethoxy-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzamide
CID 136525651
2-ethoxy-N-(3-methoxyphenyl)benzamide
CID 760215
N-(3-acetylphenyl)-2-ethoxybenzamide
CID 773754
2-ethoxy-N-[3-(1-hydroxyethyl)phenyl]benzamide
CID 43508405
N-[3-(6-ethoxypyridazin-3-yl)phenyl]-4-methyl-3-nitrobenzamide
CID 7593622

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[3-(6-ethoxypyridazin-3-yl)phenyl]benzamide?
The IUPAC name of 2-ethoxy-N-[3-(6-ethoxypyridazin-3-yl)phenyl]benzamide (CID 7593638) is 2-ethoxy-N-[3-(6-ethoxypyridazin-3-yl)phenyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[3-(6-ethoxypyridazin-3-yl)phenyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[3-(6-ethoxypyridazin-3-yl)phenyl]benzamide is CCOc1ccc(-c2cccc(NC(=O)c3ccccc3OCC)c2)nn1.
What is the InChIKey of 2-ethoxy-N-[3-(6-ethoxypyridazin-3-yl)phenyl]benzamide?
The InChIKey is GRFUTFXAEOTREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-3-26-19-11-6-5-10-17(19)21(25)22-16-9-7-8-15(14-16)18-12-13-20(24-23-18)27-4-2/h5-14H,3-4H2,1-2H3,(H,22,25).
What are the key properties of 2-ethoxy-N-[3-(6-ethoxypyridazin-3-yl)phenyl]benzamide?
2-ethoxy-N-[3-(6-ethoxypyridazin-3-yl)phenyl]benzamide has a molecular weight of 363.42 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[3-(6-ethoxypyridazin-3-yl)phenyl]benzamide is sourced from PubChem (CID 7593638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).